SCHEMBL1569984

SCHEMBL1569984

CN1CCN(c2c[c]ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.45
HRH3 Q9Y5N1 2/20 0.45
HTR3A P46098 5/20 0.40
HTR3E A5X5Y0 3/20 0.40
HTR3B O95264 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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) HRH4ALDH1A1CYP1A2
SCHEMBL4831454 0.82 HRH4 (0.34) HRH4
SCHEMBL2324452 0.81 HRH4 (0.40) HRH4ALDH1A1CYP1A2
SCHEMBL20898820 0.79 CYP1A2 (0.34) ALDH1A1CYP1A2KMT2A
SCHEMBL20898737 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10MEN1GAAKMT2A
SCHEMBL20898781 0.78 LMNA (0.53) ALDH1A1CYP1A2CYP2D6HSD17B10
SCHEMBL27501324 0.78 MEN1 (0.41) HRH3ALDH1A1ALOX15HSD17B10MEN1
SCHEMBL4781342 0.78 ALDH1A1 (0.37) ALDH1A1ALOX15HSD17B10KMT2A
SCHEMBL455110 0.78 PIK3CA (0.44) ALDH1A1CYP1A2CYP2D6HSD17B10MEN1
SCHEMBL182823 0.78 PLD1 (0.53) HRH4HRH3HTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043835-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-02-09 US claimed
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2022-10-13 US claimed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO claimed
EP-3980404-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2022-04-13 EP claimed
CN-114040912-A Compounds for the treatment of kinase-dependent disorders 埃克塞里艾克西斯公司 2022-02-11 CN claimed
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
WO-2020247418-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2020-12-10 WO claimed
EP-3694860-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES Syros Pharmaceuticals, Inc. (US) 2020-08-19 EP claimed
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US claimed
WO-2012135160-A1 (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 WO claimed
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 US claimed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US claimed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP claimed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP 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
CN-1296346-C Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-24 CN 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 (7 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 HRH4 1771/4885HRH3 1973/4885HTR3A 1752/4885
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 HRH4 1938/4885HRH3 1686/4885HTR3A 1792/4885
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 HRH4 1938/4885HRH3 1686/4885HTR3A 1792/4885
US-20230043835-A1 Compounds for the Treatment of Kinase-Dependent Disorders MAP3K20, MAP3K6, MAP3K1 HRH4 3464/4885HRH3 3244/4885HTR3A 2855/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 HRH4 1771/4885HRH3 1973/4885HTR3A 1752/4885
US-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A HRH4 4462/4885HRH3 4562/4885HTR3A 1545/4885
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HRH4 3410/4885HRH3 3029/4885HTR3A 4466/4885

“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.