SCHEMBL5454230

SCHEMBL5454230

Cn1cc(-c2nccc(Oc3cccc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)c3)n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.56
KDR P35968 12/20 0.51
BRAF P15056 4/20 0.51
ABL1 P00519 2/20 0.51
HTR2A P28223 1/20 0.51
RET P07949 1/20 0.49
EPHB2 P29323 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49
AURKB Q96GD4 1/20 0.48
EPHX2 P34913 1/20 0.47
CSF1R P07333 1/20 0.47

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
SCHEMBL5442522 0.96 NTRK1 (0.58) NTRK1KDRBRAFABL1HTR2A
SCHEMBL5441833 0.92 ABL1 (0.55) NTRK1BRAFABL1AURKBCSF1R
SCHEMBL5457893 0.91 NTRK1 (0.63) NTRK1KDRBRAFABL1RET
SCHEMBL5452721 0.88 NTRK1 (0.72) NTRK1KDRBRAFABL1RET
SCHEMBL5338760 0.87 NTRK1 (0.66) NTRK1KDRBRAFABL1RET
SCHEMBL5345816 0.87 KDR (0.65) NTRK1KDRBRAFABL1RET
SCHEMBL5431936 0.86 KDR (0.66) NTRK1KDRBRAFRET
SCHEMBL5333938 0.83 KDR (0.54) NTRK1KDRBRAFMAPK14TNNI3K
SCHEMBL5429189 0.82 KDR (0.73) NTRK1KDRBRAFABL1HTR2A
SCHEMBL5447211 0.82 NTRK1 (0.60) NTRK1KDRBRAFABL1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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 (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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 NTRK1 578/4885KDR 555/4885BRAF 1/4885

“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.