SCHEMBL2330579

SCHEMBL2330579

CCOC(=O)/C=C/c1cnc(Cl)cc1NC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
P2RX3 P56373 2/20 0.42
TTR P02766 1/20 0.41
CCNC P24863 4/20 0.41
CDK8 P49336 4/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP3A4 P08684 1/20 0.39
FDPS P14324 1/20 0.39
ESR1 P03372 1/20 0.39
P2RY12 Q9H244 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL2330581 1.00 DPP4 (0.44) DPP4ALDH1A1MAPTP2RX3TTR
SCHEMBL30836979 0.86 P2RX3 (0.42) DPP4ALDH1A1MAPTP2RX3TTR
SCHEMBL27362167 0.86 P2RX3 (0.42) DPP4ALDH1A1MAPTP2RX3TTR
SCHEMBL23446133 0.85 MAPT (0.47) DPP4ALDH1A1MAPTP2RX3TTR
SCHEMBL29980453 0.85 MAPT (0.47) DPP4ALDH1A1MAPTP2RX3TTR
SCHEMBL29838567 0.83 DPP4 (0.45) DPP4ALDH1A1MAPTP2RX3TTR
SCHEMBL5363556 0.83 DPP4 (0.45) DPP4ALDH1A1MAPTP2RX3TTR
SCHEMBL5363535 0.83 DPP4 (0.45) DPP4ALDH1A1MAPTP2RX3TTR
SCHEMBL30883411 0.82 MEN1 (0.42) DPP4ALDH1A1MAPTP2RX3CCNC
SCHEMBL14990673 0.80 PLAU (0.43) ALDH1A1MAPTCA1CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531498-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-07-13 EP disclosed
US-9181238-B2 N-(pyridin-2-yl)sulfonamides and compositions thereof as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181238-B2 N-(pyridin-2-yl)sulfonamides and compositions thereof as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG 2013-06-06 US disclosed
US-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG 2013-06-06 US disclosed
EP-2531498-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-12-12 EP disclosed
WO-2011097526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-11 WO disclosed
WO-2011097526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-11 WO 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-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS RAF1, BRAF, ARAF DPP4 4391/4885ALDH1A1 3567/4885MAPT 2512/4885

“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.