SCHEMBL29964432

SCHEMBL29964432

Nc1nc(F)ccc1-c1cc2c(cn1)C(=O)NCC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.44
PARP11 Q9NR21 9/20 0.44
PARP1 P09874 3/20 0.44
GRM5 P41594 5/20 0.44
MAPK1 P28482 1/20 0.43
MKNK1 Q9BUB5 1/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
CDC7 O00311 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
PLK1 P53350 1/20 0.39
CCNA1 P78396 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL29964667 0.84 PARP10 (0.56) PARP10PARP11PARP1GRM5MAPK1
SCHEMBL29963884 0.84 PARP10 (0.42) PARP10PARP11PARP1GRM5MAPK1
SCHEMBL29914510 0.81 PARP10 (0.47) PARP10PARP11PARP1GRM5MAPK1
SCHEMBL12495886 0.78 PARP10 (0.48) PARP10PARP11PARP1GRM5MAPK1
SCHEMBL29914848 0.78 PARP10 (0.52) PARP10PARP11PARP1GRM5MAPK1
SCHEMBL12496236 0.77 GABRG2 (0.47) PARP10PARP11PARP1GRM5MAPK1
SCHEMBL24681233 0.76 PARP10 (0.48) PARP10PARP11PARP1GRM5MAPK1
SCHEMBL29914493 0.76 PARP10 (0.48) PARP10PARP11PARP1GRM5MAPK1
SCHEMBL31079103 0.73 PARP10 (0.55) PARP10PARP11PARP1GRM5MAPK1
SCHEMBL29964097 0.73 MAPK1 (0.53) PARP10PARP11PARP1GRM5MAPK1

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 PARP10 2072/4885PARP11 1176/4885PARP1 2516/4885

“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.