SCHEMBL14770749

SCHEMBL14770749

CCOC(=O)c1cc(NCc2c(OC)cc(C)cc2OC)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
ERBB3 P21860 1/20 0.38
DPP4 P27487 4/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 6/20 0.37
TSHR P16473 5/20 0.37
CYP1A2 P05177 5/20 0.37
CYP2D6 P10635 5/20 0.37
CYP3A4 P08684 4/20 0.37
CLK4 Q9HAZ1 4/20 0.37
CYP2C19 P33261 4/20 0.37
MAPK1 P28482 3/20 0.37
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 4/20 0.36
HIF1A Q16665 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 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
SCHEMBL13472449 0.92 DPP4 (0.43) EGFRERBB3DPP4NPC1LMNA
SCHEMBL14770748 0.76 PDE11A (0.42) EGFRLMNATP53MEN1KMT2A
SCHEMBL14770752 0.76 MAPT (0.40) EGFRDPP4LMNACLK4HPGD
SCHEMBL30249033 0.75 RPS6KB1 (0.43) LMNATSHRCYP1A2CYP2D6CYP3A4
SCHEMBL30185868 0.75 RPS6KB1 (0.43) LMNATSHRCYP1A2CYP2D6CYP3A4
SCHEMBL25393653 0.75 RPS6KB1 (0.43) LMNATSHRCYP1A2CYP2D6CYP3A4
SCHEMBL2772870 0.70 S1PR1 (0.57) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL3231476 0.69 MAPT (0.61) EGFRERBB3NPC1LMNATSHR
SCHEMBL10228362 0.68 CYP1A2 (0.50) NPC1LMNATSHRCYP1A2CYP2C19
SCHEMBL13472447 0.68 MAPT (0.43) DPP4LMNATP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920048-B2 Substituted pyrimidines for inhibiting Raf kinase activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-08 US disclosed
US-9556177-B2 Substituted 1,3-thiazoles as synthetic intermediates for preparation of Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS XOMA (US) LLC 2015-03-19 US disclosed
US-8802657-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2013-03-14 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 (3 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-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF EGFR 558/4885ERBB3 161/4885DPP4 4035/4885
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF EGFR 558/4885ERBB3 161/4885DPP4 4035/4885
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF EGFR 558/4885ERBB3 161/4885DPP4 4035/4885

“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.