SCHEMBL31079280

SCHEMBL31079280

Nc1nc(F)c(-c2ccc(N3CCOCC3)cc2)cc1-c1cc(F)c2c(=O)[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.45
RPS6KA3 P51812 2/20 0.42
XDH P47989 1/20 0.41
RPS6KA2 Q15349 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
MAPK1 P28482 1/20 0.38
CHEK1 O14757 1/20 0.38
SYK P43405 2/20 0.38
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL31079161 0.87 ZAP70 (0.46) ZAP70RPS6KA3CHEK1SYK
SCHEMBL31079174 0.87 ACVR1 (0.41) ZAP70RPS6KA3SYK
SCHEMBL31079367 0.85 ADORA2A (0.41) ZAP70CHEK1SYK
SCHEMBL27159933 0.85 ZAP70 (0.45) ZAP70RPS6KA3XDHCHEK1SYK
SCHEMBL31079188 0.84 FYN (0.41) ZAP70RPS6KA3XDHMAPK1PI4KA
SCHEMBL31079260 0.84 ZAP70 (0.36) ZAP70RPS6KA3CHEK1
SCHEMBL31079373 0.84 ACVR1 (0.34) ZAP70RPS6KA3CHEK1
SCHEMBL31079186 0.84 ACVR1 (0.34) ZAP70RPS6KA3CHEK1
SCHEMBL27160164 0.77 TGFBR1 (0.40)
SCHEMBL31079155 0.76 XDH (0.41) RPS6KA3XDHRPS6KA2RPS6KA1MAPK1

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 ZAP70 525/4885RPS6KA3 500/4885XDH 1025/4885

“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.