SCHEMBL31079260

SCHEMBL31079260

Nc1nc(F)c(-c2ccc(N3CCN(CCC4CC4)CC3)cc2)cc1-c1cc(F)c2c(=O)[nH]ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.36
DRD2 P14416 5/20 0.36
DRD3 P35462 2/20 0.36
HTR7 P34969 6/20 0.35
HTR1A P08908 3/20 0.35
HTR2A P28223 3/20 0.35
HTR6 P50406 3/20 0.35
TGFBR1 P36897 2/20 0.35
AKT1 P31749 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
CHEK2 O96017 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
LYN P07948 1/20 0.33
SRC P12931 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL31079367 0.92 ADORA2A (0.41) ZAP70AKT1ADORA2AADORA1CHEK1
SCHEMBL31079445 0.89 PRKACA (0.40) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL31079161 0.88 ZAP70 (0.46) ZAP70AKT1ADORA2AADORA1CHEK1
SCHEMBL27160153 0.87 ZAP70 (0.36) ZAP70DRD2DRD3HTR7HTR1A
SCHEMBL31079326 0.85 HTR7 (0.37) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL31079280 0.84 ZAP70 (0.45) ZAP70CHEK1RPS6KA3
SCHEMBL31079122 0.83 HTR7 (0.40) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL31079174 0.82 ACVR1 (0.41) ZAP70TGFBR1FYNRPS6KA3
SCHEMBL31079373 0.82 ACVR1 (0.34) ZAP70TGFBR1CHEK1AURKACHEK2
SCHEMBL31079186 0.82 ACVR1 (0.34) ZAP70TGFBR1CHEK1AURKACHEK2

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 525/4885DRD2 4804/4885DRD3 4742/4885

“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.