SCHEMBL13868232

SCHEMBL13868232

CC(C)=C(C)Nc1ncc(C)c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 6/20 0.48
RAPGEF4 Q8WZA2 1/20 0.47
BRD4 O60885 1/20 0.46
DHODH Q02127 1/20 0.46
HSP90AA1 P07900 1/20 0.45
BTK Q06187 1/20 0.45
JAK2 O60674 2/20 0.45
CYP3A4 P08684 2/20 0.45
JAK1 P23458 2/20 0.45
JAK3 P52333 2/20 0.45
STK17B O94768 2/20 0.44
AURKA O14965 1/20 0.43
GRM4 Q14833 1/20 0.43
CDK8 P49336 1/20 0.43
SYK P43405 1/20 0.43
KDR P35968 1/20 0.42
LMNA P02545 1/20 0.42
BRAF P15056 1/20 0.42
MAPK14 Q16539 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
SCHEMBL17915945 0.85 RAPGEF4 (0.52) STK17ARAPGEF4BRD4DHODHHSP90AA1
SCHEMBL270779 0.83 BRD4 (0.50) STK17ARAPGEF4BRD4DHODHHSP90AA1
SCHEMBL301488 0.82 STK17A (0.53) STK17ARAPGEF4BRD4DHODHJAK2
SCHEMBL12110919 0.82 RAPGEF4 (0.53) STK17ARAPGEF4BRD4DHODHHSP90AA1
SCHEMBL265776 0.81 RAPGEF4 (0.56) STK17ARAPGEF4BRD4DHODHHSP90AA1
SCHEMBL14390083 0.77 AURKA (0.58) STK17ABTKJAK2JAK3STK17B
SCHEMBL760315 0.74 CDK2 (0.49) STK17ABRD4JAK2CYP3A4JAK1
SCHEMBL654204 0.74 SYK (0.60) STK17ABTKJAK2JAK3STK17B
SCHEMBL29609643 0.74 JAK1 (0.82) JAK2CYP3A4JAK1JAK3SYK
SCHEMBL341177 0.74 JAK1 (0.82) JAK2CYP3A4JAK1JAK3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 STK17A 243/4885RAPGEF4 2982/4885BRD4 142/4885

“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.