SCHEMBL4335378

SCHEMBL4335378

CN1CCC(N(C)C(=O)Nc2cc(Oc3ccc([N+](=O)[O-])cc3)ccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GSK3B P49841 7/20 0.47
DYRK1A Q13627 7/20 0.47
WNT1 P04628 1/20 0.47
KDR P35968 6/20 0.45
BRAF P15056 4/20 0.45
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
GCK P35557 1/20 0.40

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
SCHEMBL4330508 0.92 MEN1 (0.43) ALDH1A1LMNAKMT2AMEN1GSK3B
SCHEMBL4327197 0.90 MEN1 (0.43) ALDH1A1LMNAKMT2AMEN1GSK3B
SCHEMBL4328757 0.89 MEN1 (0.42) ALDH1A1LMNAKMT2AMEN1GSK3B
SCHEMBL3554660 0.89 KDR (0.50) ALDH1A1LMNAGSK3BDYRK1AKDR
SCHEMBL27648404 0.87 MEN1 (0.42) ALDH1A1LMNAKMT2AMEN1GSK3B
SCHEMBL27648402 0.87 MEN1 (0.42) ALDH1A1LMNAKMT2AMEN1GSK3B
SCHEMBL4330800 0.87 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AMEN1GSK3B
SCHEMBL4330137 0.86 GSK3B (0.49) GSK3BDYRK1AWNT1KDRBRAF
SCHEMBL4328106 0.84 GSK3B (0.48) GSK3BDYRK1AWNT1KDRBRAF
SCHEMBL4321854 0.82 GCK (0.49) ALDH1A1KMT2AMEN1KDRGCK

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 ALDH1A1 557/4885LMNA 4875/4885KMT2A 4095/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF ALDH1A1 930/4885LMNA 4870/4885KMT2A 4080/4885

“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.