SCHEMBL5634259

SCHEMBL5634259

O=C(c1cnc(Nc2cccnc2)s1)c1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.64
GSK3B P49841 1/20 0.64
CDK5 Q00535 1/20 0.64
CDK5R1 Q15078 1/20 0.64
MAPK13 O15264 10/20 0.58
MAPK12 P53778 10/20 0.58
MAPK11 Q15759 10/20 0.58
MAPK14 Q16539 10/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDR P35968 1/20 0.50

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
SCHEMBL5635016 0.86 LCK (0.61) MAPK13MAPK12MAPK11MAPK14KDR
SCHEMBL5633296 0.86 MAPK13 (0.80) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5633188 0.83 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634460 0.82 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634107 0.81 NPC1 (0.67) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634298 0.81 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5635540 0.80 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5633565 0.80 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5633639 0.80 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL4250552 0.79 KDR (0.59) CDK5CDK5R1MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100381429-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2008-04-16 CN disclosed
US-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
CN-1675188-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2005-09-28 CN disclosed
US-20040038990-A1 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-02-26 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-20040038990-A1 Aminothiazole derivatives FABP4, GPR119, ABAT CDK2 2572/4885GSK3B 2893/4885CDK5 3201/4885

“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.