SCHEMBL31079327

SCHEMBL31079327

CC(C)N1CCN(c2ccc(-c3cc(-c4cc(F)c5c(c4)CCNC5=O)c(N)nc3F)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
CDK4 P11802 2/20 0.32
CDK6 Q00534 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALK Q9UM73 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
NPY2R P49146 3/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 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
SCHEMBL29963872 0.91 ACVR1 (0.40) CDK4CDK6CCNA2CDK2ALK
SCHEMBL31079206 0.87 PDE3B (0.43) PDE3BPDE3AALOX5APFEN1MAPK1
SCHEMBL31079207 0.85 ADORA2A (0.36) CDC7FFAR4ALKPDE3BPDE3A
SCHEMBL29963906 0.84 MAPK1 (0.38) CDC7ALKBMPR1BBMPR1ATGFBR1
SCHEMBL29964331 0.84 ALK (0.38) CDC7HRH4CDK4CDK6CCNA2
SCHEMBL29964270 0.83 MAPK1 (0.40) CDK4CDK6CCNA2CDK2MAPK1
SCHEMBL29964980 0.83 PARP10 (0.42) CDK4CDK6CCNA2CDK2CCNC
SCHEMBL31079329 0.82 CCNT1 (0.34) CDK4CDK6CCNA2CDK2ALK
SCHEMBL31079345 0.82 CCNT1 (0.34) CDK4CDK6CCNA2CDK2ALK
SCHEMBL29965037 0.82 ACVR1 (0.41) HRH4ALKBMPR1BBMPR1AACVR1B

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 CDC7 206/4885HRH4 677/4885PKN1 166/4885

“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.