SCHEMBL29965136

SCHEMBL29965136

Nc1nc(F)c(-c2ccc(N3CCN(CC4CC4)CC3)cc2)cc1-c1cc2c(cc1F)C(=O)NCC2

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 1/20 0.37
CYP21A2 P08686 1/20 0.37
CYP11B1 P15538 1/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDC7 O00311 1/20 0.35
MAPK1 P28482 2/20 0.35
MAPKAPK2 P49137 3/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL31079127 0.90 MAPK1 (0.45) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL31079359 0.89 CDK4 (0.40) ADORA2AADORA1CDK4CCND1CCND3
SCHEMBL31079264 0.89 MAPK1 (0.38) CDC7MAPK1MCHR1KDM1APARP1
SCHEMBL29964261 0.88 CDK4 (0.37) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL31079152 0.88 ADORA2A (0.40) ADORA2AADORA1CYP17A1CYP21A2CYP11B1
SCHEMBL31079279 0.88 CDK4 (0.37) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL31079313 0.87 PARP1 (0.42) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL29963719 0.87 HRH3 (0.44) CDC7MAPK1MAPKAPK2MCHR1PARP1
SCHEMBL29964711 0.86 CDK4 (0.38) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL29964513 0.86 CDC7 (0.35) CDC7MAPK1MCHR1PARP1PARP2

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.