SCHEMBL29163385

SCHEMBL29163385

Nc1nc(F)c(-c2ccc(N3CCOCC3)cn2)nc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.51
▸ CDK4 P11802 4/20 0.51
▸ CCNA2 P20248 4/20 0.51
▸ CCND1 P24385 4/20 0.51
▸ CDK2 P24941 4/20 0.51
▸ CCND3 P30281 4/20 0.51
▸ CDK9 P50750 4/20 0.51
▸ CDK6 Q00534 4/20 0.51
▸ CDK7 P50613 3/20 0.51
▸ CCNH P51946 3/20 0.51
▸ MNAT1 P51948 3/20 0.51
▸ MAPK1 P28482 2/20 0.47
▸ TBK1 Q9UHD2 1/20 0.46
▸ MAPKAPK5 Q8IW41 2/20 0.41
▸ XDH P47989 1/20 0.39
▸ JAK2 O60674 3/20 0.39
▸ JAK1 P23458 3/20 0.39
▸ TYK2 P29597 3/20 0.39
▸ JAK3 P52333 3/20 0.39
▸ PARP10 Q53GL7 2/20 0.39

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
SCHEMBL27160021 0.91 CCNT1 (0.47) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL29965437 0.87 MAPK1 (0.51) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL27157797 0.83 MAPK1 (0.54) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL27160135 0.83 CCNT1 (0.56) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL27157675 0.83 CDK4 (0.51) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL29163394 0.82 CCNT1 (0.47) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL29964732 0.81 MAPK1 (0.52) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL27160032 0.81 XDH (0.41) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL27159765 0.81 CCNT1 (0.43) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL27160140 0.79 CDK4 (0.47) CCNT1CDK4CCNA2CCND1CDK2

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 2 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
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

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 CCNT1 863/4885CDK4 429/4885CCNA2 1597/4885

“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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