SCHEMBL31079216

SCHEMBL31079216

CN(C)Cc1cc(-c2cc(-c3ccc4c(c3)CCNC4=O)c(N)nc2F)ccc1N1CCN(C2CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
PARP10 Q53GL7 6/20 0.36
PARP11 Q9NR21 6/20 0.36
GSK3B P49841 1/20 0.35
MAPKAPK2 P49137 7/20 0.35
MAPK9 P45984 1/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCND3 P30281 2/20 0.33
CDK6 Q00534 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
KDM1A O60341 1/20 0.32
SYK P43405 1/20 0.32
ALK Q9UM73 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
SCHEMBL29965127 0.97 MAPK1 (0.39) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964362 0.97 MAPK1 (0.39) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964744 0.92 MAPK1 (0.32) MAPK1MAPKAPK2ALK
SCHEMBL29964506 0.90 CDK4 (0.42) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL31079348 0.89 ALK (0.33) MAPK1MAPKAPK2ALK
SCHEMBL31079041 0.89 ALK (0.34) MAPK1MAPKAPK2ALK
SCHEMBL29964826 0.88 MAPK1 (0.45) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964517 0.88 MAPK1 (0.38) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29965135 0.88 MAPK1 (0.37) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL31079267 0.84 CDK4 (0.35) MAPK1PARP10PARP11MAPKAPK2MAPK9

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 MAPK1 141/4885PARP10 2072/4885PARP11 1176/4885

“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.