SCHEMBL4338366

SCHEMBL4338366

CN1CCN(CCCN(C)C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])cc3F)ccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.44
BRAF P15056 5/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 1/20 0.42
EGFR P00533 1/20 0.40
KMT2A Q03164 1/20 0.40
GCK P35557 1/20 0.39
MET P08581 2/20 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
SCHEMBL4332347 0.87 KDR (0.46) KDRBRAFMCHR1GCKMET
SCHEMBL13861325 0.87 GCK (0.43) KDRBRAFALDH1A1SMN1; SMN2KMT2A
SCHEMBL4338272 0.85 GCK (0.45) KDRBRAFALDH1A1SMN1; SMN2KMT2A
SCHEMBL4330397 0.85 KDR (0.42) KDRBRAFMCHR1MET
SCHEMBL3552258 0.85 GCK (0.41) KDRBRAFALDH1A1SMN1; SMN2GCK
SCHEMBL4322907 0.84 ALDH1A1 (0.48) KDRBRAFALDH1A1SMN1; SMN2KMT2A
SCHEMBL3554660 0.83 KDR (0.50) KDRBRAFALDH1A1
SCHEMBL4326121 0.83 AXL (0.41) KDRBRAFALDH1A1SMN1; SMN2KMT2A
SCHEMBL4324378 0.82 GCK (0.42) KDRBRAFALDH1A1SMN1; SMN2GCK
SCHEMBL4321864 0.82 EGFR (0.39) KDRALDH1A1SMN1; SMN2MCHR1EGFR

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 7/4885BRAF 68/4885ALDH1A1 557/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF KDR 7/4885BRAF 64/4885ALDH1A1 930/4885

“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.