SCHEMBL31079253

SCHEMBL31079253

COc1ccc(-c2cc(-c3cc4c(cc3F)C(=O)NCC4)c(N)nc2F)cc1CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.42
MAPKAPK2 P49137 4/20 0.39
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
HSD17B1 P14061 1/20 0.33
GRM5 P41594 3/20 0.33
PARP10 Q53GL7 2/20 0.33
PARP11 Q9NR21 1/20 0.33
PARP1 P09874 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL31079113 0.92 MAPKAPK2 (0.35) CD274MAPKAPK2MAPK9GABRG2GABRB3
SCHEMBL29964579 0.91 MAPKAPK2 (0.42) CD274MAPKAPK2NOS1NOS3MAPK9
SCHEMBL29964559 0.90 CD274 (0.36) CD274MAPKAPK2GABRG2GABRB3GABRA5
SCHEMBL31079278 0.90 MAPK1 (0.35) CD274MAPKAPK2NOS1NOS3GABRG2
SCHEMBL29964237 0.89 ALOX5AP (0.38) CD274MAPKAPK2GABRG2GABRB3GABRA5
SCHEMBL29964381 0.88 MAPK1 (0.40) CD274MAPKAPK2GSK3BGABRG2GABRB3
SCHEMBL29963981 0.88 CD274 (0.35) CD274MAPKAPK2GABRG2GABRB3GABRA5
SCHEMBL27159598 0.87 CD274 (0.40) CD274MAPKAPK2NOS1NOS3MAPK9
SCHEMBL31079204 0.86 MAPK1 (0.41) CD274GSK3BGABRG2GABRB3GABRA5
SCHEMBL29964555 0.85 CDK4 (0.37) CD274MAPKAPK2MAPK9PARP10PARP11

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 CD274 4091/4885MAPKAPK2 79/4885NOS1 3098/4885

“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.