Sugi Predict

Sugi Predict / Compounds / SCHEMBL12355381

SCHEMBL12355381

SCHEMBL12355381

CNC(=O)c1cc(Oc2ccc(C)c(N)c2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.59
▸ BRAF P15056 12/20 0.54
▸ RAF1 P04049 6/20 0.54
▸ EPHX2 P34913 3/20 0.54
▸ CSF1R P07333 3/20 0.49
▸ PLK4 O00444 2/20 0.49
▸ AURKA O14965 2/20 0.49
▸ MAPK13 O15264 2/20 0.49
▸ MAP4K4 O95819 2/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ LCK P06239 2/20 0.49
▸ FYN P06241 2/20 0.49
▸ LYN P07948 2/20 0.49
▸ RET P07949 2/20 0.49
▸ SRC P12931 2/20 0.49
▸ RPS6KB1 P23443 2/20 0.49
▸ EPHA2 P29317 2/20 0.49
▸ AXL P30530 2/20 0.49
▸ FRK P42685 2/20 0.49
▸ MAPK9 P45984 2/20 0.49

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
SCHEMBL618015 0.90 KDR (0.59) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL940461 0.89 KDR (0.62) KDRBRAFRAF1EPHX2CSF1R
Hydrochloric Acid SCHEMBL621069 0.88 KDR (0.58) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL6014811 0.88 KDR (0.63) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL4371903 0.87 KDR (0.59) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL1219701 0.86 KDR (0.58) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL6385161 0.86 KDR (0.58) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL30078261 0.86 KDR (0.61) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL6387865 0.86 KDR (0.61) KDRBRAFRAF1EPHX2CSF1R
Ammonia Solution, Strong SCHEMBL1218414 0.86 KDR (0.58) KDRBRAFRAF1EPHX2CSF1R

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-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 — — US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 — — US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 — — US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 — — 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 (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-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF KDR 1078/4885BRAF 1/4885RAF1 2/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 KDR 658/4885BRAF 33/4885RAF1 125/4885
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 KDR 4185/4885BRAF 338/4885RAF1 860/4885

“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.