SCHEMBL27157661

SCHEMBL27157661

Nc1ncc(-c2ccc(N3CCOCC3)c(F)c2F)nc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.49
▸ CDK4 P11802 2/20 0.44
▸ CCND1 P24385 2/20 0.44
▸ CCND3 P30281 2/20 0.44
▸ CDK6 Q00534 2/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CCNH P51946 1/20 0.44
▸ MNAT1 P51948 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.41
▸ PARP10 Q53GL7 2/20 0.39
▸ PARP11 Q9NR21 2/20 0.39
▸ ATR Q13535 4/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ MAPK9 P45984 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL27157645 0.90 MAPK1 (0.50) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157675 0.87 CDK4 (0.51) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157835 0.86 MAPK1 (0.41) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27158108 0.86 MAPK1 (0.41) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157847 0.86 MAPK1 (0.41) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL24681603 0.86 MAPK1 (0.58) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157797 0.86 MAPK1 (0.54) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27157724 0.83 MAPK1 (0.41) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL27158229 0.81 CDK4 (0.46) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL24681278 0.78 MAPK1 (0.52) MAPK1CDK4CCND1CCND3CDK6

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-20240317723-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-09-26 — — US disclosed
EP-4330252-A1 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-117597340-A 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-2022226666-A1 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-20240317723-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, PHKA1 MAPK1 499/4885CDK4 280/4885CCND1 700/4885

“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.

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