SCHEMBL199649

SCHEMBL199649

Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ncn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.54
MET P08581 3/20 0.47
S1PR4 O95977 1/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
KDR P35968 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE7A Q13946 1/20 0.39
HTT P42858 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
SCHEMBL198095 0.85 HSPB1 (0.55) HSPB1S1PR4MAPTSMN1; SMN2KDR
SCHEMBL4468270 0.84 PDE7A (0.58) MAPTSMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL20605311 0.84 ALDH1A1 (0.49) HSPB1S1PR4MAPTSMN1; SMN2KDR
SCHEMBL4729808 0.80 KDR (0.57) HSPB1METS1PR4MAPTKDR
SCHEMBL1894479 0.79 HTT (0.52) HSPB1MAPTKDRALDH1A1MEN1
SCHEMBL197935 0.79 HSPB1 (0.53) HSPB1METS1PR4MAPTALOX5AP
SCHEMBL30844467 0.79 HSPB1 (0.53) HSPB1METS1PR4MAPTALOX5AP
SCHEMBL1137055 0.79 MET (0.51) METALOX5APFEN1MEN1KMT2A
SCHEMBL2259653 0.78 RAF1 (0.50) HSPB1S1PR4MAPTKDRALDH1A1
SCHEMBL27724951 0.78 HSPB1 (0.53) HSPB1METS1PR4MAPTSMN1; SMN2

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128199-B Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-07-24 CN disclosed
EP-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 EP disclosed
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 EP disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
US-20120232049-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-13 US disclosed
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
CN-1906167-A Novel pyridine derivative and pyrimidine derivative (2) EISAI CO LTD (JP) 2007-01-31 CN disclosed
CN-1906166-A Novel pyridine derivative and pyrimidine derivative (1) EISAI CO LTD (JP) 2007-01-31 CN disclosed
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 EP 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
WO-2006116713-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2006-11-02 WO disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 US disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 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 (5 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 HSPB1 773/4885MET 2/4885S1PR4 1022/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF HSPB1 825/4885MET 2/4885S1PR4 971/4885
US-20120232049-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE HGF, MET, MKI67 HSPB1 1223/4885MET 2/4885S1PR4 2968/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 HSPB1 2521/4885MET 162/4885S1PR4 3277/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET HSPB1 1280/4885MET 3/4885S1PR4 1750/4885

“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.