SCHEMBL31079367

SCHEMBL31079367

Nc1nc(F)c(-c2ccc(N3CCN(CC4CC4)CC3)cc2)cc1-c1cc(F)c2c(=O)[nH]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ZAP70 P43403 4/20 0.36
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
KDM1A O60341 1/20 0.34
AKT1 P31749 1/20 0.34
SYK P43405 1/20 0.33
PIM1 P11309 1/20 0.33
MEN1 O00255 3/20 0.33
PRKACA P17612 3/20 0.32
PRKACG P22612 3/20 0.32
PRKACB P22694 3/20 0.32
MCHR1 Q99705 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
CHEK2 O96017 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32

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
SCHEMBL31079260 0.92 ZAP70 (0.36) ADORA2AADORA1ZAP70AKT1CHEK1
SCHEMBL31079161 0.89 ZAP70 (0.46) ADORA2AADORA1ZAP70AKT1SYK
SCHEMBL31079184 0.88 ADORA2A (0.42) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL29964701 0.88 ADORA2A (0.40) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL29964521 0.87 ADORA2A (0.40) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL31079296 0.87 SYK (0.43) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL27159966 0.87 ADORA2A (0.41) ADORA2AADORA1ZAP70CYP17A1CYP21A2
SCHEMBL31079280 0.85 ZAP70 (0.45) ZAP70SYKCHEK1
SCHEMBL31079318 0.85 ADORA2A (0.41) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL31079174 0.84 ACVR1 (0.41) ZAP70SYKFYN

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 ADORA2A 3485/4885ADORA1 2525/4885ZAP70 525/4885

“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.