SCHEMBL29964197

SCHEMBL29964197

CCN1CCCC(c2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
PARP10 Q53GL7 6/20 0.38
PARP11 Q9NR21 6/20 0.38
GSK3B P49841 2/20 0.37
MAPKAPK2 P49137 7/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL31079201 0.95 MAPK1 (0.47) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL29964066 0.91 MAPK1 (0.45) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL29964642 0.91 MAPK1 (0.45) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL29964622 0.91 MAPK1 (0.49) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL31079344 0.90 MAPK1 (0.44) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL31079045 0.90 MAPK1 (0.42) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964137 0.88 MAPK1 (0.45) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964192 0.85 MAPK1 (0.44) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL24680933 0.85 MAPK1 (0.55) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL29914601 0.85 MAPK1 (0.55) MAPK1CDK4CCND1CCND3CDK6

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 MAPK1 141/4885CDK4 258/4885CCND1 970/4885

“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.