SCHEMBL29964764

SCHEMBL29964764

Nc1nc(F)c(-c2ccc(O[C@H]3CCCNC3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ROCK1 Q13464 5/20 0.44
ROCK2 O75116 2/20 0.44
KCNH2 Q12809 1/20 0.44
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
CHEK2 O96017 1/20 0.41
PARP10 Q53GL7 2/20 0.40
PARP11 Q9NR21 2/20 0.40
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
PRKX P51817 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKCZ Q05513 1/20 0.38
MAPKAPK2 P49137 2/20 0.38
MAPK9 P45984 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
SCHEMBL29963910 0.92 MAPK1 (0.47) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964173 0.90 ROCK1 (0.43) MAPK1ROCK1ROCK2KCNH2ALOX5AP
SCHEMBL29964340 0.89 MAPK1 (0.48) MAPK1ROCK1ALOX5APFEN1CHEK2
SCHEMBL29964029 0.86 MAPK1 (0.50) MAPK1PARP10PARP11PIM1PRKCD
SCHEMBL29964696 0.86 MAPK1 (0.58) MAPK1ALOX5APFEN1PARP10PARP11
SCHEMBL29964708 0.85 MAPK1 (0.47) MAPK1CHEK2PARP10PARP11MAPKAPK2
SCHEMBL29964160 0.84 MAPK1 (0.51) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29963942 0.83 MAPK1 (0.44) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL31079304 0.83 MAPK1 (0.44) MAPK1PARP10PARP11MAPKAPK2MAPK9
SCHEMBL29964655 0.83 MAPK1 (0.44) 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 141/4885ROCK1 2653/4885ROCK2 4117/4885

“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.