SCHEMBL5439151

SCHEMBL5439151

CC(C)(C)OC(=O)N1CCCC(S(=O)(=O)c2ccc(Nc3ncc(/C=C/c4ccc5nc(N)sc5c4)cn3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
PIK3CA P42336 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
SYK P43405 1/20 0.38
JAK3 P52333 1/20 0.37
DYRK2 Q92630 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
LIPC P11150 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MERTK Q12866 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL5439153 1.00 NAMPT (0.44) NAMPTPIK3CALIPGGPR119SYK
SCHEMBL3042063 0.88 SYK (0.42) PIK3CALIPGGPR119SYKJAK3
SCHEMBL3042062 0.88 SYK (0.42) PIK3CALIPGGPR119SYKJAK3
SCHEMBL14490330 0.88 GPR119 (0.42) PIK3CALIPGGPR119SYKJAK3
SCHEMBL5447186 0.85 NAMPT (0.38) NAMPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5447183 0.85 NAMPT (0.38) NAMPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14490301 0.84 NAMPT (0.51) NAMPTPIK3CAGPR119SYKJAK3
SCHEMBL14490601 0.84 ALDH1A1 (0.42) PIK3CASYKCDK4CYP3A4CYP2D6
SCHEMBL5436441 0.83 PIK3CA (0.48) PIK3CADYRK2CYP1A2CYP3A4CYP2D6
SCHEMBL5436436 0.83 PIK3CA (0.48) PIK3CADYRK2CYP1A2CYP3A4CYP2D6

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
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR NAMPT 2364/4885PIK3CA 112/4885LIPG 598/4885

“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.