SCHEMBL29964631

SCHEMBL29964631

COc1cc(OC2CCNCC2)ccc1-c1cc(-c2ccc3c(c2)CCNC3=O)c(N)nc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
MAPKAPK2 P49137 4/20 0.42
ROCK1 Q13464 1/20 0.39
PARP10 Q53GL7 3/20 0.38
PARP11 Q9NR21 3/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
KCNH2 Q12809 1/20 0.38
PRKCZ Q05513 1/20 0.38
GRM5 P41594 1/20 0.37
DYRK1A Q13627 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
MAPK9 P45984 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL31079228 0.89 HRH3 (0.43) MAPK1MAPKAPK2MAPK9CHEK1HRH3
SCHEMBL31079235 0.89 HRH3 (0.43) MAPK1MAPKAPK2MAPK9CHEK1HRH3
SCHEMBL29964340 0.89 MAPK1 (0.48) MAPK1MAPKAPK2ROCK1PARP10PARP11
SCHEMBL31079274 0.88 MAPKAPK2 (0.40) MAPK1MAPKAPK2PARP10PARP11CD274
SCHEMBL29964377 0.88 MAPK1 (0.43) MAPK1MAPKAPK2PARP10PARP11GRM5
SCHEMBL29964697 0.85 MAPK1 (0.45) MAPK1MAPKAPK2ROCK1PARP10PARP11
SCHEMBL29964044 0.85 CHEK2 (0.42) MAPK1MAPKAPK2HRH3
SCHEMBL29964543 0.84 ALOX5AP (0.44) MAPK1MAPKAPK2ROCK1PARP10PARP11
SCHEMBL29964382 0.84 ALOX5AP (0.45) MAPK1MAPKAPK2ROCK1PARP10PARP11
SCHEMBL29964708 0.81 MAPK1 (0.47) MAPK1MAPKAPK2PARP10PARP11TGFBR1

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 141/4885MAPKAPK2 79/4885ROCK1 2653/4885

“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.