SCHEMBL29964173

SCHEMBL29964173

Nc1nc(F)c(-c2ccc(O[C@@H]3CCCNC3)cc2)cc1-c1cc2c(cc1F)C(=O)NCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.43
ROCK2 O75116 2/20 0.43
KCNH2 Q12809 1/20 0.43
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
CHEK2 O96017 1/20 0.40
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 3/20 0.38
PRKX P51817 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
PRKCZ Q05513 1/20 0.37
MAPK1 P28482 1/20 0.35
TYK2 P29597 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PIM3 Q86V86 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
SCHEMBL29964861 0.92 MAPKAPK2 (0.37) ROCK1ROCK2KCNH2PRKCZMAPK1
SCHEMBL29964764 0.90 MAPK1 (0.46) ROCK1ROCK2KCNH2ALOX5APFEN1
SCHEMBL29965086 0.90 PRKCZ (0.41) ROCK1ROCK2KCNH2ALOX5APFEN1
Trifluoroacetic Acid SCHEMBL29964703 0.86 MAPKAPK2 (0.34) PRKCZMAPK1
SCHEMBL31079297 0.82 GABRG2 (0.39) ALOX5APFEN1PRKCZMAPK1
SCHEMBL29964688 0.82 CHEK2 (0.42) CHEK2IKBKBCHUK
SCHEMBL29963719 0.82 HRH3 (0.44) MAPK1
SCHEMBL29964469 0.82 PRKAB2 (0.39) CHEK2MAPK1
SCHEMBL29964815 0.81 HRH3 (0.38) KCNH2MAPK1
SCHEMBL29963910 0.81 MAPK1 (0.47) MAPK1

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 ROCK1 2653/4885ROCK2 4117/4885KCNH2 2927/4885

“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.