SCHEMBL29964404

SCHEMBL29964404

Nc1nc(F)c(-c2ccc(N3CCN(CC4CC4)CC3)cc2)cc1-c1cc(F)c2c(c1)OCCNC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP17A1 P05093 2/20 0.35
CYP21A2 P08686 2/20 0.35
CYP11B1 P15538 2/20 0.35
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
NTRK1 P04629 4/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
KDM1A O60341 1/20 0.33
RPS6KA3 P51812 2/20 0.33
GSK3B P49841 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
ALK Q9UM73 1/20 0.32
RIPK2 O43353 1/20 0.32
NOD2 Q9HC29 1/20 0.32
MAPK1 P28482 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
SCHEMBL29964450 0.87 ADORA2A (0.41) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL29964255 0.85 ACVR1 (0.39) TGFBR1ACVR1MAPKAPK2ALKRIPK2
SCHEMBL31079127 0.79 MAPK1 (0.45) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL31079322 0.79 DRD2 (0.37) ADORA2AADORA1KDM1ARPS6KA3RPS6KA2
SCHEMBL31079207 0.78 ADORA2A (0.36) ADORA2AADORA1KDM1AALKMAPK1
SCHEMBL29965136 0.78 ADORA2A (0.40) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL31079367 0.77 ADORA2A (0.41) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL29964701 0.76 ADORA2A (0.40) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL29964557 0.76 MAPKAPK2 (0.41) TGFBR1ACVR1NTRK1ALOX5APFEN1
SCHEMBL31079152 0.76 ADORA2A (0.40) ADORA2AADORA1CYP17A1CYP21A2CYP11B1

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 2 patents. 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
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO 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 2525/4885CYP17A1 3684/4885

“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.