SCHEMBL3063161

SCHEMBL3063161

c1ccc2ncc(-c3nccs3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.59
PDGFRA P16234 3/20 0.59
PDPK1 O15530 1/20 0.55
CYP2A6 P11509 2/20 0.53
RAB9A P51151 2/20 0.53
NISCH Q9Y2I1 1/20 0.48
BIRC5 O15392 1/20 0.47
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
CYP1A2 P05177 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAP4K4 O95819 1/20 0.42
CSNK1G2 P78368 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
TOP2A P11388 1/20 0.42

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
SCHEMBL32667946 0.78 PDGFRB (0.77) PDGFRBPDGFRACYP2A6RAB9ANISCH
SCHEMBL2772360 0.78 PDGFRB (0.77) PDGFRBPDGFRACYP2A6RAB9ANISCH
SCHEMBL572750 0.77 PDPK1 (0.60) PDPK1CYP2A6RAB9ACYP1A2NPC1
2-Phenylthiazole SCHEMBL27609000 0.77 PDPK1 (0.70) PDPK1CYP2A6RAB9ANPC1POLB
SCHEMBL19180724 0.75 PDGFRB (1.00) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL29375041 0.75 PDGFRB (0.60) PDGFRBPDGFRACYP2A6RAB9ANISCH
SCHEMBL27651543 0.75 PDGFRB (0.60) PDGFRBPDGFRACYP2A6RAB9ANISCH
SCHEMBL29033356 0.74 PDGFRB (0.53) PDGFRBPDGFRACYP2A6NISCHBIRC5
SCHEMBL27631123 0.73 PDGFRB (0.51) PDGFRBPDGFRACYP2A6NISCHBIRC5
SCHEMBL24412080 0.73 PDGFRB (0.65) PDGFRBPDGFRACYP2A6RAB9ANISCH

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
WO-2016045127-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
CN-100443483-C Condensed ring unit terminated oligomerized thiophen analog high mobility organic semi-conducting material and its uses CHANGCHUN APPLIED CHEMISTRY (CN) 2008-12-17 CN 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S PDGFRB 3003/4885PDGFRA 2121/4885PDPK1 1902/4885

“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.