SCHEMBL29964348

SCHEMBL29964348

Nc1nc(F)c(-c2ccc(OC3CCN(CC4CC4)CC3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
MAPK1 P28482 1/20 0.43
MAPKAPK2 P49137 6/20 0.38
PARP10 Q53GL7 3/20 0.38
PARP11 Q9NR21 3/20 0.38
MAPK9 P45984 1/20 0.38
GSK3B P49841 1/20 0.37
HTR7 P34969 1/20 0.37
OPRK1 P41145 1/20 0.36
ESR1 P03372 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
CDC7 O00311 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 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
SCHEMBL31079323 0.93 MAPK1 (0.44) HRH3MAPK1MAPKAPK2PARP10PARP11
SCHEMBL29963719 0.90 HRH3 (0.44) HRH3MAPK1MAPKAPK2HTR7OPRK1
SCHEMBL29964554 0.89 MAPK1 (0.43) HRH3MAPK1MAPKAPK2PARP10PARP11
SCHEMBL29964708 0.89 MAPK1 (0.47) HRH3MAPK1MAPKAPK2PARP10PARP11
SCHEMBL29963967 0.88 MAPK1 (0.42) MAPK1MAPKAPK2PARP10PARP11MAPK9
SCHEMBL29963933 0.88 MAPK1 (0.42) MAPK1MAPKAPK2PARP10PARP11MAPK9
SCHEMBL29964399 0.87 MAPK1 (0.41) MAPK1MAPKAPK2PARP10PARP11MAPK9
SCHEMBL31078994 0.87 MAPK1 (0.41) MAPK1MAPKAPK2ESR1CDC7
SCHEMBL31079127 0.87 MAPK1 (0.45) MAPK1MAPKAPK2PARP10PARP11MAPK9
SCHEMBL29964340 0.86 MAPK1 (0.48) HRH3MAPK1MAPKAPK2PARP10PARP11

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 HRH3 492/4885MAPK1 141/4885MAPKAPK2 79/4885

“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.