SCHEMBL858668

SCHEMBL858668

O=C(O)Nc1c[nH]c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.53
CAMKK2 Q96RR4 2/20 0.52
KMT2A Q03164 1/20 0.50
AXL P30530 1/20 0.50
GPR84 Q9NQS5 1/20 0.49
AAK1 Q2M2I8 3/20 0.48
MET P08581 2/20 0.48
ADORA2A P29274 1/20 0.47
MTNR1A P48039 1/20 0.47
LRRK2 Q5S007 1/20 0.46
ROCK1 Q13464 1/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
CDC7 O00311 1/20 0.43
JAK3 P52333 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL6099539 0.85 KMT2A (0.56) MAP2K1CAMKK2KMT2AAXLGPR84
SCHEMBL7053845 0.79 AAK1 (0.70) AXLAAK1ROCK1PIM1PIM3
SCHEMBL22246753 0.78 ROCK1 (0.52) MAP2K1AAK1MTNR1AROCK1JAK3
SCHEMBL22246542 0.78 NPC1 (0.51) MAP2K1METADORA2AROCK1PIM1
SCHEMBL29468201 0.77 MAP2K1 (0.71) MAP2K1CAMKK2KMT2AAXLGPR84
SCHEMBL985214 0.77 MAP2K1 (0.71) MAP2K1CAMKK2KMT2AAXLGPR84
SCHEMBL22050247 0.77 SHMT2 (0.47) MAP2K1KMT2A
SCHEMBL22049744 0.77 POLB (0.53) MAP2K1KMT2AADORA2AMTNR1A
SCHEMBL22246571 0.77 AAK1 (0.47) MAP2K1CAMKK2KMT2AAAK1MTNR1A
SCHEMBL22828696 0.76 NAMPT (0.53) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712408-B1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT DOMPE SPA (IT) 1998-10-28 EP claimed
US-5750536-A ANTI-ASTHMATICS, TREATMENT OF PAIN SENSITIVITY DOMPE ' SPA (IT) 1998-05-12 US claimed
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
EP-2975038-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK(NO 4) LTD (GB) 2017-07-12 EP 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-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
WO-2002085301-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-31 WO disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
US-20020061892-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-05-23 US disclosed
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 WO disclosed
EP-0712408-B1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT DOMPE SPA (IT) 1998-10-28 EP disclosed
US-5750536-A ANTI-ASTHMATICS, TREATMENT OF PAIN SENSITIVITY DOMPE ' SPA (IT) 1998-05-12 US disclosed
US-5750536-A ANTI-ASTHMATICS, TREATMENT OF PAIN SENSITIVITY DOMPE ' SPA (IT) 1998-05-12 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 (10 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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 MAP2K1 3885/4885CAMKK2 4304/4885KMT2A 941/4885
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 MAP2K1 2266/4885CAMKK2 2976/4885KMT2A 2616/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 MAP2K1 3885/4885CAMKK2 4304/4885KMT2A 941/4885
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CAMKK2 3569/4885KMT2A 1565/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CAMKK2 3569/4885KMT2A 1565/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 MAP2K1 2632/4885CAMKK2 3150/4885KMT2A 1429/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CAMKK2 3569/4885KMT2A 1565/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CAMKK2 3569/4885KMT2A 1565/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MAP2K1 2319/4885CAMKK2 2862/4885KMT2A 1996/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 MAP2K1 2634/4885CAMKK2 3569/4885KMT2A 1565/4885

“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.