SCHEMBL31079322

SCHEMBL31079322

Nc1nc(F)c(-c2ccc(N3CCN(CCC4CC4)CC3)cc2)cc1-c1cc(F)c2c(c1)CCNC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.37
DRD3 P35462 7/20 0.37
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK6 Q00534 1/20 0.35
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
RPS6KA3 P51812 2/20 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
SCHEMBL29964450 0.92 ADORA2A (0.41) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL27159876 0.88 DRD2 (0.37) DRD2DRD3CCNT1CDK4CCNA2
SCHEMBL29964311 0.87 MAOA (0.33) DRD2CCNT1CDK4CCNA2CCND1
SCHEMBL29964298 0.85 CCNT1 (0.45) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL31079155 0.84 XDH (0.41) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL31079207 0.83 ADORA2A (0.36) ADORA2AADORA1MAPK1KDM1A
SCHEMBL29963872 0.83 ACVR1 (0.40) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL31079345 0.83 CCNT1 (0.34) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL31079329 0.83 CCNT1 (0.34) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL29964641 0.83 CDK2 (0.36) CCNT1CDK4CCNA2CCND1CDK2

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 DRD2 4804/4885DRD3 4742/4885CCNT1 604/4885

“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.