SCHEMBL31079113

SCHEMBL31079113

CN(C)Cc1cc(-c2cc(-c3cc4c(cc3F)C(=O)NCC4)c(N)nc2F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.35
PARP10 Q53GL7 8/20 0.35
PARP11 Q9NR21 5/20 0.35
CD274 Q9NZQ7 1/20 0.35
GRM5 P41594 1/20 0.35
PARP1 P09874 4/20 0.35
MAPK1 P28482 1/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
MAPK9 P45984 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
SCHEMBL31079253 0.92 CD274 (0.42) MAPKAPK2PARP10PARP11CD274GRM5
SCHEMBL31079116 0.91 PARP10 (0.43) MAPKAPK2PARP10PARP11GRM5MAPK1
SCHEMBL29964555 0.89 CDK4 (0.37) MAPKAPK2PARP10PARP11CD274PARP1
SCHEMBL31079278 0.89 MAPK1 (0.35) MAPKAPK2CD274MAPK1GABRG2GABRB3
SCHEMBL29964559 0.89 CD274 (0.36) MAPKAPK2PARP10PARP11CD274PARP1
SCHEMBL31079254 0.88 MAPK1 (0.36) MAPKAPK2CD274MAPK1GABRG2GABRB3
SCHEMBL31078997 0.88 MAPKAPK2 (0.33) MAPKAPK2PARP10PARP11CD274PARP1
SCHEMBL31079295 0.88 MAPK1 (0.45) MAPKAPK2PARP10PARP11CD274MAPK1
SCHEMBL29964237 0.88 ALOX5AP (0.38) MAPKAPK2CD274MAPK1GABRG2GABRB3
SCHEMBL31079364 0.87 PIK3CD (0.33) MAPKAPK2CD274PARP1

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 MAPKAPK2 79/4885PARP10 2072/4885PARP11 1176/4885

“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.