SCHEMBL29914545

SCHEMBL29914545

Nc1ncc(-c2ccc(C3CCNCC3)cc2)cc1-c1cc2c(cc1F)C(=O)NCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
JAK2 O60674 2/20 0.43
LRRK2 Q5S007 2/20 0.40
ACVR1 Q04771 4/20 0.39
BMPR1B O00238 2/20 0.39
BMPR1A P36894 2/20 0.39
TGFBR1 P36897 2/20 0.39
ACVRL1 P37023 2/20 0.39
PARP10 Q53GL7 3/20 0.38
PARP11 Q9NR21 2/20 0.38
PARP1 P09874 1/20 0.38
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
RIPK2 O43353 1/20 0.37
NOD2 Q9HC29 1/20 0.37
FEN1 P39748 2/20 0.37
MAPKAPK2 P49137 1/20 0.36
ALOX5AP P20292 1/20 0.35
GSK3B P49841 1/20 0.35
ACVR1B P36896 1/20 0.35

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
SCHEMBL24680725 0.87 MAPK1 (0.46) MAPK1JAK2LRRK2ACVR1PARP10
SCHEMBL29914491 0.86 MAPK1 (0.67) MAPK1JAK2LRRK2ACVR1BMPR1B
SCHEMBL24681134 0.86 MAPK1 (0.49) MAPK1JAK2LRRK2ACVR1BMPR1B
SCHEMBL24680738 0.86 MAPK1 (0.45) MAPK1LRRK2ACVR1TGFBR1PARP10
SCHEMBL24680740 0.86 MAPK1 (0.45) MAPK1JAK2LRRK2ACVR1PARP10
SCHEMBL24681348 0.86 MAPK1 (0.45) MAPK1LRRK2ACVR1BMPR1BBMPR1A
SCHEMBL24681687 0.85 MAPK1 (0.45) MAPK1LRRK2ACVR1PARP1RIPK2
SCHEMBL29964754 0.85 MAPK1 (0.42) MAPK1JAK2ACVR1TGFBR1PARP10
SCHEMBL24681605 0.84 MAPK1 (0.43) MAPK1LRRK2ACVR1BMPR1BBMPR1A
Trifluoroacetic Acid SCHEMBL29965113 0.79 MAPK1 (0.38) MAPK1PARP1TNKSTNKS2GSK3B

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 3 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-2022226667-A1 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
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 141/4885JAK2 333/4885LRRK2 1274/4885

“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.