SCHEMBL31078992

SCHEMBL31078992

COCCN(C)Cc1cc(-c2cc(-c3ccc4c(c3)CCNC4=O)c(N)nc2F)ccc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MTOR P42345 1/20 0.39
MAPKAPK2 P49137 6/20 0.36
MAPK9 P45984 1/20 0.34
PARP10 Q53GL7 3/20 0.34
PARP11 Q9NR21 3/20 0.34
PIK3CA P42336 4/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
WDR5 P61964 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK4 P11802 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
SCHEMBL31079301 0.92 MTOR (0.37) MAPK1MTORMAPKAPK2PIK3CAGABRG2
SCHEMBL31079335 0.91 MAPK1 (0.40) MAPK1MTORMAPKAPK2MAPK9PARP10
SCHEMBL31310890 0.91 MTOR (0.38) MAPK1MTORMAPKAPK2MAPK9PARP10
SCHEMBL29964826 0.90 MAPK1 (0.45) MAPK1MTORMAPKAPK2MAPK9PARP10
SCHEMBL31079138 0.87 MAPK1 (0.42) MAPK1MTORMAPKAPK2MAPK9PARP10
SCHEMBL31079333 0.87 MAPK1 (0.44) MAPK1MTORMAPKAPK2MAPK9PARP10
SCHEMBL29964814 0.87 MAPK1 (0.50) MAPK1MTORMAPKAPK2MAPK9PARP10
SCHEMBL31079328 0.85 MAPK1 (0.45) MAPK1MTORMAPKAPK2MAPK9PARP10
SCHEMBL31079163 0.84 MAPK1 (0.42) MAPK1EEDRBBP4SUZ12EZH2
SCHEMBL31079075 0.84 MAPK1 (0.44) MAPK1MTORMAPKAPK2MAPK9PARP10

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 141/4885MTOR 642/4885MAPKAPK2 79/4885

“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.