SCHEMBL13603582

SCHEMBL13603582

CNC(=O)c1cc(Oc2cccc(CNC(=O)Nc3cc(C)c(Cl)cc3OCCN(C)C)c2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 5/20 0.64
RAF1 P04049 9/20 0.49
KDR P35968 6/20 0.47
GSK3B P49841 2/20 0.47
BRAF P15056 3/20 0.45
RET P07949 3/20 0.43
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPK14 Q16539 3/20 0.40
RIPK2 O43353 2/20 0.40
ABCB11 O95342 2/20 0.40
ABL1 P00519 2/20 0.40
HTR1A P08908 2/20 0.40
PDGFRB P09619 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
KIT P10721 2/20 0.40
FGFR1 P11362 2/20 0.40

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
SCHEMBL169162 0.93 DDR2 (0.55) DDR2RAF1KDRGSK3BBRAF
SCHEMBL171021 0.92 DDR2 (0.65) DDR2RAF1KDRGSK3BBRAF
SCHEMBL171241 0.91 DDR2 (0.77) DDR2RAF1KDRGSK3BBRAF
SCHEMBL13603581 0.91 DDR2 (0.58) DDR2RAF1KDRGSK3BBRAF
SCHEMBL171041 0.91 DDR2 (0.58) DDR2RAF1KDRGSK3BBRAF
SCHEMBL15575220 0.89 DDR2 (0.61) DDR2RAF1KDRGSK3BBRAF
SCHEMBL171214 0.89 DDR2 (0.60) DDR2RAF1KDRGSK3BBRAF
SCHEMBL5568977 0.88 RET (0.57) DDR2RAF1KDRGSK3BBRAF
SCHEMBL15575367 0.88 DDR2 (0.60) DDR2RAF1KDRGSK3BBRAF
SCHEMBL15575411 0.87 DDR2 (0.71) DDR2RAF1KDRGSK3BBRAF

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-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 DDR2 4558/4885RAF1 2/4885KDR 1819/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885RAF1 2/4885KDR 1819/4885

“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.