SCHEMBL4335509

SCHEMBL4335509

COc1ccc(N(C)C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])cc3F)ncn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.52
KDR P35968 3/20 0.41
MAPT P10636 4/20 0.41
MAPK3 P27361 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSPB1 P04792 2/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
TBXA2R P21731 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 1/20 0.38

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
SCHEMBL4330093 0.92 RAF1 (0.43) RAF1KDRMAPTMAPK3ALDH1A1
SCHEMBL4337547 0.86 RAF1 (0.47) RAF1KDRMAPTMAPK3ALDH1A1
SCHEMBL4336021 0.85 RAF1 (0.55) RAF1KDRMAPTMAPK3POLB
SCHEMBL4330304 0.81 RAF1 (0.43) RAF1KDRMAPTMAPK3ALDH1A1
SCHEMBL2259653 0.80 RAF1 (0.50) RAF1KDRMAPTMAPK3ALDH1A1
SCHEMBL4321395 0.80 RAF1 (0.42) RAF1KDRMAPTMAPK3ALDH1A1
SCHEMBL1136780 0.79 KMT2A (0.55) RAF1KDRMAPTALDH1A1HSPB1
SCHEMBL27648449 0.79 KDR (0.41) RAF1KDRMAPTMAPK3ALDH1A1
SCHEMBL4334131 0.78 KDR (0.41) RAF1KDRMAPTMAPK3ALDH1A1
SCHEMBL4325789 0.78 RAF1 (0.40) RAF1KDRMAPTMAPK3ALDH1A1

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 8 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
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 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 RAF1 162/4885KDR 7/4885MAPT 4577/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF RAF1 145/4885KDR 7/4885MAPT 4621/4885

“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.