SCHEMBL400695

SCHEMBL400695

Nc1ncnc2cncn12

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 1/20 0.31
GRK5 P34947 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CLK2 P49760 1/20 0.31
GSK3A P49840 1/20 0.31

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
SCHEMBL22918490 0.69
SCHEMBL461170 0.63 PIK3CA (0.31) FGFR1RPS6KA3PRKXPRKCQTNK2
SCHEMBL10281635 0.61 CCR1 (0.33)
SCHEMBL5494546 0.60 ABL1 (0.36) AURKADAPK3MAP4K4ABL1RET
SCHEMBL23679320 0.58 GABRA5 (0.36)
SCHEMBL24983651 0.57 LMNA (0.30)
SCHEMBL4071831 0.56 RET (0.43) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL5487082 0.56 SMPD3 (0.38) CHEK1AURKADAPK3MAP4K4ABL1
SCHEMBL997527 0.56 PRMT5 (0.35)
SCHEMBL4952993 0.56 CHEK1 (0.31) CHEK1AURKADAPK3JAK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME (NL) 2023-10-19 US disclosed
EP-4249076-A2 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR Merck Sharp & Dohme B.V. (NL) 2023-09-27 EP disclosed
EP-3495368-B1 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR MERCK SHARP & DOHME (NL) 2023-05-31 EP disclosed
EP-3689878-B1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK-INHIBITORS MERCK SHARP & DOHME (NL) 2021-10-06 EP disclosed
US-20210230166-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2021-07-29 US disclosed
US-10934296-B2 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors MERCK SHARP & DOHME B.V. (NL) 2021-03-02 US disclosed
EP-3689878-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK-INHIBITORS Merck Sharp & Dohme B.V. (NL) 2020-08-05 EP disclosed
US-20190276456-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2019-09-12 US disclosed
EP-3495368-A1 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR Merck Sharp & Dohme B.V. (NL) 2019-06-12 EP disclosed
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007064993-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 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 (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-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 CHEK1 188/4885AURKA 1854/4885DAPK3 688/4885
US-20070149521-A1 Bicyclic protein kinase inhibitors CDK1, MAP4K2, MAP4K3 CHEK1 177/4885AURKA 422/4885DAPK3 205/4885
US-10934296-B2 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors BTK, SYK, ABL1 CHEK1 634/4885AURKA 417/4885DAPK3 367/4885
US-20210230166-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 CHEK1 634/4885AURKA 417/4885DAPK3 367/4885
US-20190276456-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 CHEK1 634/4885AURKA 417/4885DAPK3 367/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 CHEK1 188/4885AURKA 1854/4885DAPK3 688/4885
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 CHEK1 634/4885AURKA 417/4885DAPK3 367/4885

“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.