SCHEMBL182823

SCHEMBL182823

[c]1ccnc(N2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.53
ADRB1 P08588 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
BPTF Q12830 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR3E A5X5Y0 2/20 0.39

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
SCHEMBL1599784 0.82 HRH4 (0.38) PLD1ALDH1A1KDM4ECASP1CASP4
SCHEMBL4831454 0.82 HRH4 (0.34) PLD1KDM4EHRH4
SCHEMBL2324452 0.81 HRH4 (0.40) ALDH1A1HRH4CYP1A2TSHRSMN1; SMN2
SCHEMBL20899239 0.78 KDM4E (0.37) PLD1KDM4E
SCHEMBL4781342 0.78 ALDH1A1 (0.37) PLD1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1569984 0.78 HRH4 (0.45) HRH3ALDH1A1HRH4HSD17B10MEN1
SCHEMBL455110 0.78 PIK3CA (0.44) ALDH1A1KDM4EHSD17B10MEN1CYP2C9
SCHEMBL27549279 0.76 PDE10A (0.40)
SCHEMBL20898820 0.75 CYP1A2 (0.34) ALDH1A1KDM4ECYP2C19KMT2ACYP1A2
SCHEMBL4829515 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases SYROS PHARMACEUTICALS, INC. (US) 2021-06-22 US claimed
US-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS INC (US) 2021-05-20 US claimed
CN-112368285-A Pyrrolotriazine compounds and methods of inhibiting TAM kinase 希洛斯医药品股份有限公司 2021-02-12 CN claimed
EP-3694860-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES Syros Pharmaceuticals, Inc. (US) 2020-08-19 EP claimed
WO-2019074962-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2019-04-18 WO claimed
US-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2018-11-15 US claimed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US claimed
EP-2892892-B1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP claimed
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US claimed
EP-2892892-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER Janssen Pharmaceutica N.V. (BE) 2015-07-15 EP claimed
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, NV (BE) 2015-04-09 US claimed
WO-2014039769-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR|THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-03-13 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed

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

For each of this compound's patents that has machine-readable text (8 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-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 PLD1 684/4885ADRB1 2991/4885HRH3 1973/4885
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 PLD1 502/4885ADRB1 2125/4885HRH3 4064/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 PLD1 502/4885ADRB1 2125/4885HRH3 4064/4885
US-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 PLD1 502/4885ADRB1 2125/4885HRH3 4064/4885
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA PLD1 514/4885ADRB1 1329/4885HRH3 1106/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 PLD1 684/4885ADRB1 2991/4885HRH3 1973/4885
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 PLD1 502/4885ADRB1 2125/4885HRH3 4064/4885
US-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A PLD1 445/4885ADRB1 756/4885HRH3 4562/4885

“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.