SCHEMBL29964655

SCHEMBL29964655

C[C@@H]1CC(Oc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2)C[C@H](C)N1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
PARP10 Q53GL7 7/20 0.41
PARP11 Q9NR21 7/20 0.41
MAPKAPK2 P49137 9/20 0.41
MAPK9 P45984 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GSK3B P49841 1/20 0.36
GRM5 P41594 1/20 0.34

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
SCHEMBL29963942 1.00 MAPK1 (0.44) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL31079304 1.00 MAPK1 (0.44) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29963910 0.89 MAPK1 (0.47) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964340 0.86 MAPK1 (0.48) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL31079370 0.86 PARP10 (0.43) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964708 0.86 MAPK1 (0.47) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964696 0.85 MAPK1 (0.58) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29965132 0.84 MAPK1 (0.43) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964396 0.83 MAPK1 (0.43) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL31079103 0.83 PARP10 (0.55) 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 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 141/4885PARP10 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.