SCHEMBL3341165

SCHEMBL3341165

C1=NNC(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.55
CHRNA4 P43681 9/20 0.55
CHRNA7 P36544 5/20 0.53
CYP2A6 P11509 3/20 0.53
MEN1 O00255 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP11B2 P19099 1/20 0.46

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
SCHEMBL26049963 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL24111526 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Hydrochloric Acid SCHEMBL25372000 0.98 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Hydrochloric Acid SCHEMBL25370503 0.98 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Hydrochloric Acid SCHEMBL25370506 0.98 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL1178805 0.80 MEN1 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL3338610 0.79 CYP1A2 (0.34) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL27467551 0.74
SCHEMBL18255139 0.73 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA7
SCHEMBL10090910 0.73 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP2A6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
US-20230120185-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-20 US disclosed
US-11485710-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-01 US disclosed
US-11485710-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-01 US disclosed
US-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF VORONOIBIO INC. (KR) 2022-08-04 US disclosed
EP-3971190-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Voronoi Inc. (KR) 2022-03-23 EP disclosed
WO-2021252307-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-12-16 WO disclosed
US-20210284647-A1 N-(3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYLPHENYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR TREATING KINASE-RELATED DISEASES VORONOI CO., LTD (KR) 2021-09-16 US disclosed
EP-2069310-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS Solvay Pharmaceuticals B.V. (NL) 2009-06-17 EP disclosed
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders ABBOTT HOSPITALS LIMITED (BS) 2008-12-18 US disclosed
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders ABBOTT HOSPITALS LIMITED (BS) 2008-12-18 US disclosed
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders ABBOTT HOSPITALS LIMITED (BS) 2008-12-18 US disclosed
WO-2008034863-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-03-27 WO disclosed
WO-2008034863-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-03-27 WO disclosed
EP-0295695-B1 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1994-06-08 EP disclosed
US-4990529-A Nervous system disorder MITSUI TOATSU CHEMICALS (JP) 1991-02-05 US disclosed
US-4839376-A Pyrazoline derivatives for treating cerebrovascular diseases MITSUI TOATSU CHEMICALS, INC. (JP) 1989-06-13 US disclosed
EP-0295695-A2 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-12-21 EP 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 (6 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-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders HTR6, HCRTR2, HTR2C CHRNB2 41/4885CHRNA4 19/4885CHRNA7 39/4885
US-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF CDK4, CDK6, CDK16 CHRNB2 4798/4885CHRNA4 4561/4885CHRNA7 4389/4885
US-20230120185-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 CHRNB2 4061/4885CHRNA4 4193/4885CHRNA7 3941/4885
US-20210284647-A1 N-(3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYLPHENYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR TREATING KINASE-RELATED DISEASES MYLK3, MINK1, PLK2 CHRNB2 2186/4885CHRNA4 2970/4885CHRNA7 2560/4885
US-11485710-B2 Heterocyclic amides as kinase inhibitors MAP3K19, MAP3K20, MAP3K1 CHRNB2 4061/4885CHRNA4 4193/4885CHRNA7 3941/4885
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 CHRNB2 4545/4885CHRNA4 4754/4885CHRNA7 4333/4885

“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.