SCHEMBL31079155

SCHEMBL31079155

Nc1nc(F)c(-c2ccc(N3CCOCC3)cc2)cc1-c1cc(F)c2c(c1)CCNC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
RPS6KA3 P51812 3/20 0.41
RPS6KA2 Q15349 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
MAPK1 P28482 3/20 0.39
CCNT1 O60563 1/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK6 Q00534 1/20 0.37
TYK2 P29597 3/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
TBK1 Q9UHD2 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
SCHEMBL29964298 0.92 CCNT1 (0.45) RPS6KA3CCNT1CDK4CCNA2CCND1
SCHEMBL31079206 0.91 PDE3B (0.43) XDHMAPK1TYK2TBK1PDE3B
SCHEMBL29964641 0.89 CDK2 (0.36) RPS6KA3RPS6KA2RPS6KA1MAPK1CCNT1
SCHEMBL29964732 0.88 MAPK1 (0.52) XDHMAPK1CCNT1CDK4CCNA2
SCHEMBL29963872 0.88 ACVR1 (0.40) RPS6KA3RPS6KA2RPS6KA1CCNT1CDK4
SCHEMBL31079120 0.88 MAPK9 (0.41) MAPK1ADORA2AADORA1PARP1
SCHEMBL31079150 0.87 MAPK1 (0.34) XDHRPS6KA3RPS6KA2RPS6KA1MAPK1
SCHEMBL29964450 0.86 ADORA2A (0.41) RPS6KA3RPS6KA2RPS6KA1MAPK1CCNT1
SCHEMBL27159996 0.85 XDH (0.41) XDHRPS6KA3RPS6KA2RPS6KA1MAPK1
SCHEMBL29965355 0.85 MAPK1 (0.36) MAPK1TYK2CYP3A4PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 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 (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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 XDH 1025/4885RPS6KA3 500/4885RPS6KA2 683/4885

“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.