SCHEMBL1940550

SCHEMBL1940550

COC(=O)C(=O)c1c[nH]c2ncccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.73
CNR2 P34972 1/20 0.49
ADORA2A P29274 1/20 0.47
MTNR1A P48039 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.46
AXL P30530 2/20 0.46
CAMKK2 Q96RR4 2/20 0.46
GPR84 Q9NQS5 1/20 0.45
CCNE1 P24864 4/20 0.44
CDK2 P24941 4/20 0.44
KIF20A O95235 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL367606 0.86 MAP2K1 (0.62) MAP2K1CNR2ADORA2AMTNR1ACYP2D6
SCHEMBL29526844 0.84 MAP2K1 (1.00) MAP2K1CNR2ADORA2AMTNR1AKMT2A
SCHEMBL13325426 0.84 MAP2K1 (0.68) MAP2K1CNR2ADORA2AMTNR1ACYP2D6
SCHEMBL1607007 0.84 MAP2K1 (1.00) MAP2K1CNR2ADORA2AMTNR1AKMT2A
Methoxymethane SCHEMBL28146835 0.84 MAP2K1 (0.77) MAP2K1CNR2ADORA2AMTNR1ACYP2D6
SCHEMBL1474975 0.83 MAP2K1 (0.65) MAP2K1CNR2ADORA2AMTNR1ACYP2D6
SCHEMBL30368631 0.82 MAP2K1 (0.64) MAP2K1CNR2ADORA2AMTNR1ACYP2D6
Potassium Ion SCHEMBL2688784 0.81 MAP2K1 (0.63) MAP2K1CNR2ADORA2AMTNR1ACYP2D6
Potassium Ion SCHEMBL29688228 0.81 MAP2K1 (0.63) MAP2K1CNR2ADORA2AMTNR1ACYP2D6
SCHEMBL1867330 0.81 MAP2K1 (0.63) MAP2K1CNR2ADORA2AMTNR1ACYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents VIIV HEALTHCARE UK (NO. 4) LIMITED 2022-06-28 US disclosed
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2021-01-28 US disclosed
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2020-02-13 US disclosed
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2019-04-18 US disclosed
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO 4) LTD (GB) 2018-01-04 US disclosed
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO 4) LTD (GB) 2016-12-15 US disclosed
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO 4) LTD (GB) 2016-12-15 US disclosed
US-20150315218-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-05 US disclosed
US-9169251-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2015-10-27 US disclosed
US-20150232414-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-08-20 US disclosed
US-20090176806-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS ZHANG HAN-CHENG 2009-07-09 US disclosed
US-20090176806-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS ZHANG HAN-CHENG 2009-07-09 US disclosed
US-7524858-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-7524858-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-20080312230-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 US disclosed
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
EP-1725569-B1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 EP disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CNR2 305/4885ADORA2A 2152/4885
US-20150315218-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 MAP2K1 2455/4885CNR2 464/4885ADORA2A 2214/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CNR2 305/4885ADORA2A 2152/4885
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease CCR1, CCL2, CCL11 MAP2K1 1708/4885CNR2 224/4885ADORA2A 419/4885
US-20090176806-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS PRKDC, PRKACA, MAP3K20 MAP2K1 389/4885CNR2 4089/4885ADORA2A 4370/4885
US-20150232414-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CNR2 305/4885ADORA2A 2152/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 MAP2K1 2632/4885CNR2 338/4885ADORA2A 2255/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CNR2 305/4885ADORA2A 2152/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CNR2 305/4885ADORA2A 2152/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 MAP2K1 4448/4885CNR2 78/4885ADORA2A 2299/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CNR2 305/4885ADORA2A 2152/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 MAP2K1 3885/4885CNR2 4587/4885ADORA2A 740/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.