SCHEMBL29964708

SCHEMBL29964708

CN1CCC(Oc2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nc3F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MAPKAPK2 P49137 7/20 0.42
GSK3B P49841 1/20 0.41
PARP10 Q53GL7 3/20 0.41
PARP11 Q9NR21 3/20 0.41
MAPK9 P45984 1/20 0.40
CHEK2 O96017 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CDC7 O00311 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL29964177 0.91 HRH3 (0.45) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL31079146 0.91 MAPK1 (0.43) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL29964484 0.91 CHEK2 (0.44) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL29963933 0.90 MAPK1 (0.42) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL29964340 0.90 MAPK1 (0.48) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL31079234 0.89 MAPK1 (0.45) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL29964348 0.89 HRH3 (0.45) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL29963967 0.89 MAPK1 (0.42) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL29964696 0.88 MAPK1 (0.58) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL31079269 0.88 MAPK1 (0.47) MAPK1MAPKAPK2GSK3BPARP10PARP11

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 79/4885GSK3B 1000/4885

“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.