SCHEMBL31079102

SCHEMBL31079102

CN(C)Cc1cc(-c2cc(-c3ccc4c(c3)CCNC4=O)c(N)nc2F)ccc1OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
PARP10 Q53GL7 6/20 0.38
PARP11 Q9NR21 6/20 0.38
GSK3B P49841 1/20 0.37
MAPKAPK2 P49137 5/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 1/20 0.35
SYK P43405 2/20 0.35
MAPK9 P45984 1/20 0.34
XDH P47989 1/20 0.33

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
SCHEMBL31079324 0.95 MAPK1 (0.50) MAPK1PRKACAPRKACGPRKACBPARP10
SCHEMBL31079278 0.91 MAPK1 (0.35) MAPK1PRKACAPRKACGPRKACBMAPKAPK2
SCHEMBL29964579 0.89 MAPKAPK2 (0.42) MAPK1PARP10PARP11MAPKAPK2GABRG2
SCHEMBL29964565 0.89 MAPK1 (0.40) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964735 0.88 MAPK1 (0.41) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL31079116 0.87 PARP10 (0.43) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29963798 0.86 MAPK1 (0.49) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL29964574 0.86 MAPK1 (0.38) MAPK1PARP10PARP11GSK3BMAPKAPK2
SCHEMBL31079204 0.86 MAPK1 (0.41) MAPK1GSK3BGABRG2GABRB3GABRA5
SCHEMBL27159858 0.86 MAPK1 (0.46) MAPK1PRKACAPRKACGPRKACBPARP10

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 1 patent. 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

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 141/4885PRKACA 149/4885PRKACG 223/4885

“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.