SCHEMBL31079172

SCHEMBL31079172

CC(C)N1CCc2cc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.41
PARP11 Q9NR21 7/20 0.41
MAPK1 P28482 1/20 0.41
MAPKAPK2 P49137 8/20 0.39
MAPK9 P45984 1/20 0.39
GSK3B P49841 1/20 0.36
PRF1 P14222 1/20 0.36
SYK P43405 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 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
CDK6 Q00534 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
SCHEMBL31079169 0.96 MAPK1 (0.43) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL31079336 0.91 MAPKAPK2 (0.37) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL29964992 0.88 PARP10 (0.43) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL31079013 0.86 PARP10 (0.40) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL29964157 0.85 PARP10 (0.41) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL29964957 0.85 MAPK1 (0.42) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL31079103 0.84 PARP10 (0.55) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL29964659 0.83 MAPK1 (0.49) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL29964634 0.82 MAPK1 (0.41) PARP10PARP11MAPK1MAPKAPK2MAPK9
SCHEMBL29964700 0.82 MAPKAPK2 (0.39) PARP10PARP11MAPK1MAPKAPK2MAPK9

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

“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.