SCHEMBL4843791

SCHEMBL4843791

CN(C)CCN/C(=N\C#N)Nc1cc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.54
KIT P10721 2/20 0.54
RAF1 P04049 1/20 0.54
LCK P06239 1/20 0.54
RET P07949 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAP3K20 Q9NYL2 1/20 0.54
RIPK3 Q9Y572 1/20 0.54
FLT1 P17948 3/20 0.46
NR2E1 Q9Y466 4/20 0.41
RORA P35398 1/20 0.40
TRPA1 O75762 4/20 0.35
BRAF P15056 2/20 0.34
ABL1 P00519 1/20 0.34
RUVBL1 Q9Y265 1/20 0.33
CCR2 P41597 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL4843794 1.00 KDR (0.54) KDRKITRAF1LCKRET
SCHEMBL4852051 0.92 KDR (0.55) KDRKITRAF1LCKRET
SCHEMBL4852047 0.92 KDR (0.55) KDRKITRAF1LCKRET
SCHEMBL4850443 0.92 KDR (0.52) KDRKITRAF1LCKRET
SCHEMBL4850439 0.92 KDR (0.52) KDRKITRAF1LCKRET
SCHEMBL4843593 0.91 KDR (0.50) KDRKITRAF1LCKRET
SCHEMBL4843588 0.91 KDR (0.50) KDRKITRAF1LCKRET
SCHEMBL4846740 0.90 KDR (0.58) KDRKITRAF1LCKRET
SCHEMBL4846748 0.90 KDR (0.58) KDRKITRAF1LCKRET
SCHEMBL14019059 0.89 KDR (0.55) KDRKITRAF1LCKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439256-B2 (Arylamidoaryl) cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2008-10-21 US disclosed
US-7439256-B2 (Arylamidoaryl) cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2008-10-21 US disclosed
US-7439256-B2 (Arylamidoaryl) cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2008-10-21 US disclosed
US-20060074082-A1 (Arylamidoaryl)cyanoguanidine compounds OSI PHARMACEUTICALS, INC. 2006-04-06 US disclosed
WO-2006034110-A1 (ARYLAMIDOARYL) CYANOGUANIDINE COMPOUNDS AS INHIBITORS OF C-KIT PROTO-ONCOGENE OSI PHARMACEUTICALS, INC. (US) 2006-03-30 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-20060074082-A1 (Arylamidoaryl)cyanoguanidine compounds NQO2, NRAS, Q6ZSR9 KDR 1751/4885KIT 1210/4885RAF1 699/4885

“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.