SCHEMBL4335067

SCHEMBL4335067

Nc1ccc(Oc2cc(NC(=O)N3CCC(N4CCCCC4)CC3)ncn2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.50
AXL P30530 5/20 0.45
MERTK Q12866 5/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
EGFR P00533 1/20 0.41
BRAF P15056 2/20 0.41
RAF1 P04049 2/20 0.40
CHRM4 P08173 1/20 0.40
MAPK3 P27361 1/20 0.39

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
SCHEMBL13861188 0.99 KDR (0.51) KDRAXLMERTKCYP3A4CYP2D6
SCHEMBL13861178 0.97 KDR (0.49) KDRAXLMERTKEGFRBRAF
SCHEMBL4324372 0.94 KDR (0.49) KDRAXLMERTKBRAFRAF1
SCHEMBL4321852 0.91 AXL (0.54) KDRAXLMERTKBRAFRAF1
SCHEMBL13860908 0.91 KDR (0.58) KDRAXLMERTKBRAFRAF1
SCHEMBL198191 0.90 KDR (0.59) KDRAXLMERTKBRAFRAF1
SCHEMBL4329925 0.90 AXL (0.50) KDRAXLMERTKBRAFRAF1
SCHEMBL13860938 0.86 KDR (0.48) KDRAXLMERTKCYP3A4CYP2D6
SCHEMBL13860932 0.85 KDR (0.48) KDRAXLMERTKCYP2D6EGFR
SCHEMBL14366236 0.85 AXL (0.51) KDRAXLMERTKCYP3A4CYP2D6

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
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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 (2 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 KDR 7/4885AXL 87/4885MERTK 2359/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF KDR 7/4885AXL 116/4885MERTK 2620/4885

“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.