SCHEMBL29964439

SCHEMBL29964439

Nc1ncc(-c2ccc(N3C[C@@H]4CCO[C@@H]4C3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
TGFBR1 P36897 6/20 0.42
ACVR1 Q04771 5/20 0.42
MAPKAPK2 P49137 7/20 0.41
FYN P06241 3/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
MAPK9 P45984 1/20 0.39
GSK3B P49841 1/20 0.38
RIPK2 O43353 1/20 0.38
NOD2 Q9HC29 1/20 0.38

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
SCHEMBL29965178 0.87 MAPK1 (0.59) MAPK1TGFBR1ACVR1MAPKAPK2FYN
SCHEMBL29964314 0.85 MAPK1 (0.47) MAPK1MAPKAPK2PARP10PARP11MAPK9
SCHEMBL29914550 0.83 MAPK1 (0.57) MAPK1TGFBR1ACVR1MAPKAPK2FYN
SCHEMBL24681215 0.83 MAPK1 (0.57) MAPK1TGFBR1ACVR1MAPKAPK2FYN
SCHEMBL24681606 0.83 MAPK1 (0.57) MAPK1TGFBR1ACVR1MAPKAPK2FYN
SCHEMBL24681246 0.83 MAPK1 (0.63) MAPK1TGFBR1ACVR1MAPKAPK2FYN
SCHEMBL24680801 0.82 MAPK1 (0.56) MAPK1TGFBR1ACVR1MAPKAPK2FYN
SCHEMBL29914497 0.82 MAPK1 (0.56) MAPK1TGFBR1ACVR1MAPKAPK2FYN
SCHEMBL24681692 0.82 MAPK1 (0.55) MAPK1TGFBR1ACVR1MAPKAPK2FYN
SCHEMBL24680999 0.82 MAPK1 (0.55) MAPK1TGFBR1ACVR1MAPKAPK2FYN

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 141/4885TGFBR1 4134/4885ACVR1 3323/4885

“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.