SCHEMBL29914840

SCHEMBL29914840

Cc1c[nH]c(=O)c2ccc(-c3nc(-c4ccc(N5C[C@@H](C)N(C)[C@@H](C)C5)cc4)c(F)nc3N)cc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.36
ACVR1 Q04771 2/20 0.36
KCNH2 Q12809 1/20 0.36
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
MAP4K4 O95819 2/20 0.33
TNIK Q9UKE5 2/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ADORA2A P29274 1/20 0.32
WDR5 P61964 4/20 0.31
PIM1 P11309 1/20 0.31
C1S P09871 2/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL27159781 0.92 TGFBR1 (0.37) TGFBR1ACVR1KCNH2CDK4CCND1
SCHEMBL27160003 0.85 FGFR1 (0.38) TGFBR1ACVR1KCNH2CDK4CCND1
SCHEMBL27159964 0.84 ALK (0.41) TGFBR1ACVR1TNIKTNKSPARP1
SCHEMBL29163316 0.84 PARP1 (0.35) TNKSPARP1TNKS2ADORA2AROCK1
SCHEMBL27160006 0.83 PARP1 (0.35) TNKSPARP1TNKS2
SCHEMBL29914984 0.82 TGFBR1 (0.36) TGFBR1ACVR1KCNH2CDK4CCND1
SCHEMBL29163319 0.82 HRH3 (0.37) ACVR1TNKSPARP1TNKS2PIM1
SCHEMBL29163297 0.81 ADORA2A (0.40) TNKSPARP1TNKS2ADORA2APIM1
SCHEMBL27159798 0.79 MAPK1 (0.38) KCNH2TNKSPARP1TNKS2
SCHEMBL30816190 0.78 BMPR1B (0.32) TGFBR1ACVR1KCNH2LMNATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-12-26 US disclosed
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
CN-117597336-A Halogen substituted amino aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 CN disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO 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 (1 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-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, WNK1 TGFBR1 3740/4885ACVR1 2907/4885KCNH2 3586/4885

“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.