SCHEMBL31079296

SCHEMBL31079296

Nc1nc(F)c(-c2ccc(N3CCN(CC4CC4)CC3)cc2)cc1-c1cc(F)c2c(=O)[nH]cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36
CYP11B1 P15538 1/20 0.36
IP6K1 Q92551 3/20 0.34
IP6K3 Q96PC2 1/20 0.34
PIM1 P11309 1/20 0.34
KDM1A O60341 1/20 0.34
MEN1 O00255 3/20 0.33
RIPK2 O43353 2/20 0.33
ACVR1 Q04771 2/20 0.33
NOD2 Q9HC29 2/20 0.33
NOD1 Q9Y239 1/20 0.33
RPS6KA3 P51812 1/20 0.33
FYN P06241 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 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
SCHEMBL31079391 0.87 ADORA2A (0.40) SYKADORA2AADORA1CYP17A1CYP21A2
SCHEMBL31079367 0.87 ADORA2A (0.41) SYKADORA2AADORA1CYP17A1CYP21A2
SCHEMBL31079419 0.86 ADORA2A (0.39) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL29964701 0.86 ADORA2A (0.40) SYKADORA2AADORA1CYP17A1CYP21A2
SCHEMBL31079346 0.84 SYK (0.43) SYKIP6K1IP6K3RIPK2ACVR1
SCHEMBL29964521 0.82 ADORA2A (0.40) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL29964683 0.81 ADORA2A (0.39) SYKADORA2AADORA1CYP17A1CYP21A2
SCHEMBL29964519 0.79 ADORA2A (0.41) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL31079260 0.79 ZAP70 (0.36) ADORA2AADORA1RPS6KA3FYN
SCHEMBL31079122 0.79 HTR7 (0.40) SYKACVR1RPS6KA3FYN

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 SYK 2269/4885ADORA2A 3485/4885ADORA1 2525/4885

“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.