SCHEMBL5345816

SCHEMBL5345816

Cn1cc(-c2nccc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)n2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.65
MAPK14 Q16539 12/20 0.65
TNNI3K Q59H18 12/20 0.65
BRAF P15056 9/20 0.65
NTRK1 P04629 2/20 0.63
PLK4 O00444 2/20 0.55
AURKA O14965 2/20 0.55
JAK2 O60674 2/20 0.55
MAP4K4 O95819 2/20 0.55
ABL1 P00519 2/20 0.55
LCK P06239 2/20 0.55
FYN P06241 2/20 0.55
LYN P07948 2/20 0.55
SRC P12931 2/20 0.55
EPHA2 P29317 2/20 0.55
AXL P30530 2/20 0.55
FRK P42685 2/20 0.55
SYK P43405 2/20 0.55
BLK P51451 2/20 0.55
TYRO3 Q06418 2/20 0.55

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
SCHEMBL5452721 0.94 NTRK1 (0.72) KDRMAPK14TNNI3KBRAFNTRK1
SCHEMBL5457893 0.92 NTRK1 (0.63) KDRMAPK14TNNI3KBRAFNTRK1
SCHEMBL5333938 0.91 KDR (0.54) KDRMAPK14TNNI3KBRAFNTRK1
SCHEMBL5447211 0.90 NTRK1 (0.60) KDRMAPK14TNNI3KBRAFNTRK1
SCHEMBL5338760 0.90 NTRK1 (0.66) KDRMAPK14TNNI3KBRAFNTRK1
SCHEMBL5454230 0.87 NTRK1 (0.56) KDRMAPK14TNNI3KBRAFNTRK1
SCHEMBL5429189 0.86 KDR (0.73) KDRMAPK14TNNI3KBRAFNTRK1
SCHEMBL5442522 0.84 NTRK1 (0.58) KDRMAPK14TNNI3KBRAFNTRK1
SCHEMBL573353 0.84 KDR (0.74) KDRMAPK14TNNI3KBRAFNTRK1
SCHEMBL5431936 0.84 KDR (0.66) KDRBRAFNTRK1RETCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO 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
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 KDR 555/4885MAPK14 193/4885TNNI3K 112/4885

“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.