SCHEMBL12279008

SCHEMBL12279008

CNc1ncc(C)c(Nc2cccc(S(=O)(=O)NC)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 13/20 0.57
BRAF P15056 2/20 0.55
EGFR P00533 3/20 0.54
JAK1 P23458 3/20 0.53
JAK3 P52333 3/20 0.53
SYK P43405 1/20 0.53
BRD4 O60885 3/20 0.52
BUB1B O60566 1/20 0.52
JAK2 O60674 1/20 0.52
RET P07949 1/20 0.52
BRD2 P25440 1/20 0.52
WEE1 P30291 1/20 0.52
FLT3 P36888 1/20 0.52
BRD3 Q15059 1/20 0.52
BRDT Q58F21 1/20 0.52
ALK Q9UM73 1/20 0.52
BTK Q06187 1/20 0.52

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
SCHEMBL17916035 0.89 JAK1 (0.62) EGFRJAK1JAK3SYKJAK2
SCHEMBL17916014 0.89 BRD4 (0.66) TNNI3KBRAFEGFRJAK1JAK3
SCHEMBL17915956 0.89 BRD4 (0.66) TNNI3KBRAFEGFRJAK1JAK3
SCHEMBL10260435 0.89 GAK (0.55) TNNI3KBRAFEGFRJAK1JAK3
SCHEMBL270501 0.89 JAK1 (0.56) TNNI3KBRAFEGFRJAK1JAK3
SCHEMBL17915944 0.88 JAK3 (0.67) EGFRJAK1JAK3SYKBRD4
SCHEMBL309668 0.85 TNNI3K (0.61) TNNI3KBRAFEGFR
SCHEMBL17915906 0.84 BRD4 (0.63) TNNI3KBRAFEGFRJAK1JAK3
SCHEMBL17915907 0.83 JAK3 (0.49) EGFRJAK1JAK3SYKBRD4
SCHEMBL17915905 0.82 KDM4E (0.54) TNNI3KBRAFEGFRJAK1JAK3

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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 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-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 TNNI3K 94/4885BRAF 40/4885EGFR 181/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 TNNI3K 94/4885BRAF 40/4885EGFR 181/4885

“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.