SCHEMBL10105553

SCHEMBL10105553

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)c(F)c2)ccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.79
KDR P35968 8/20 0.79
BRAF P15056 6/20 0.79
RET P07949 4/20 0.79
ABL1 P00519 4/20 0.79
MAPK14 Q16539 4/20 0.79
RIPK2 O43353 3/20 0.79
EPHX2 P34913 3/20 0.79
EPHA2 P29317 3/20 0.79
MAP3K20 Q9NYL2 3/20 0.79
ABCB11 O95342 2/20 0.79
HTR1A P08908 2/20 0.79
PDGFRB P09619 2/20 0.79
ADORA3 P0DMS8 2/20 0.79
KIT P10721 2/20 0.79
FGFR1 P11362 2/20 0.79
PDGFRA P16234 2/20 0.79
FLT1 P17948 2/20 0.79
MAOA P21397 2/20 0.79
EPHA1 P21709 2/20 0.79

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
SCHEMBL14751419 0.94 KDR (0.70) RAF1KDRBRAFRETABL1
SCHEMBL10105558 0.92 KDR (0.71) RAF1KDRBRAFRETABL1
SCHEMBL10105571 0.92 RAF1 (0.66) RAF1KDRBRAFRETABL1
SCHEMBL12283302 0.91 KDR (0.66) RAF1KDRBRAFRETABL1
SCHEMBL14751478 0.91 KDR (0.65) RAF1KDRBRAFRETABL1
SCHEMBL10105574 0.90 RAF1 (0.64) RAF1KDRBRAFRETABL1
SCHEMBL14751476 0.90 KDR (0.64) RAF1KDRBRAFRETABL1
SCHEMBL10324287 0.89 RAF1 (0.75) RAF1KDRBRAFRETABL1
SCHEMBL10105567 0.89 RAF1 (0.68) RAF1KDRBRAFRETABL1
SCHEMBL19888727 0.89 RAF1 (0.75) RAF1KDRBRAFRETABL1

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-20170268065-A1 ERK1 and ERK2 Mutations That Confer Resistance to MAPK Pathway Inhibitors DANA-FARBER CANCER INSTITUTE, INC. 2017-09-21 US disclosed
US-9518020-B2 Process for Regorafenib HETERO RESEARCH FOUNDATION (IN) 2016-12-13 US disclosed
US-20160251313-A1 PROCESS FOR REGORAFENIB HETERO RESEARCH FOUNDATION (IN) 2016-09-01 US disclosed
US-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS GROUP, INC. (US) 2016-03-03 US disclosed
EP-2558448-B1 PROCESS FOR THE PREPARATION OF 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)-PHENYL]AMINO}CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE BAYER HEALTHCARE LLC (US) 2015-05-20 EP disclosed
US-20120077851-A1 Urea Derivatives as Kinase Inhibitors MEDOLUTION LIMITED (US) 2012-03-29 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-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER KRAS, NRAS, TP53 RAF1 11/4885KDR 953/4885BRAF 5/4885
US-20160251313-A1 PROCESS FOR REGORAFENIB KDR, PDGFRA, RET RAF1 665/4885KDR 1/4885BRAF 75/4885
US-20120077851-A1 Urea Derivatives as Kinase Inhibitors MAP3K20, CDK20, MAP3K10 RAF1 15/4885KDR 1768/4885BRAF 36/4885

“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.