SCHEMBL19813035

SCHEMBL19813035

Cc1cnccc1-c1cnc(N)c(-c2ccc(C(=O)NC(CO)c3ccccc3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 1.00
MAPK13 O15264 1/20 0.58
ROCK2 O75116 1/20 0.58
RPS6KA5 O75582 1/20 0.58
MAP4K4 O95819 1/20 0.58
PAK4 O96013 1/20 0.58
PRKCG P05129 1/20 0.58
CDK1 P06493 1/20 0.58
PRKACA P17612 1/20 0.58
RPS6KB1 P23443 1/20 0.58
CDK2 P24941 1/20 0.58
AKT1 P31749 1/20 0.58
AKT2 P31751 1/20 0.58
CLK2 P49760 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
IRAK1 P51617 1/20 0.58
RPS6KA3 P51812 1/20 0.58
PRKX P51817 1/20 0.58
NEK4 P51957 1/20 0.58

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
SCHEMBL16679599 1.00 MAPK1 (1.00) MAPK1MAPK13ROCK2RPS6KA5MAP4K4
SCHEMBL20145745 0.94 MAPK1 (0.90) MAPK1MAPK13ROCK2RPS6KA5MAP4K4
SCHEMBL19813071 0.89 MAPK1 (1.00) MAPK1
SCHEMBL16680028 0.89 MAPK1 (1.00) MAPK1
SCHEMBL16679393 0.88 MAPK1 (1.00) MAPK1MAPK13ROCK2RPS6KA5MAP4K4
SCHEMBL19813060 0.88 MAPK1 (1.00) MAPK1MAPK13ROCK2RPS6KA5MAP4K4
SCHEMBL19822287 0.82 MAPK1 (0.70) MAPK1RPS6KA5MAP4K4PRKCGCDK1
SCHEMBL20145449 0.82 MAPK1 (0.69) MAPK1ROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL3104408 0.81 MAPK1 (0.67) MAPK1MAPK13ROCK2RPS6KA5MAP4K4
SCHEMBL3093972 0.79 MAPK1 (0.73) MAPK1MAPK13ROCK2RPS6KA5MAP4K4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2019-01-29 US disclosed
EP-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 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 (2 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-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 MAPK1 95/4885MAPK13 80/4885ROCK2 294/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 MAPK1 95/4885MAPK13 80/4885ROCK2 294/4885

“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.