SCHEMBL863956

SCHEMBL863956

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(F)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
KDR P35968 1/20 0.41
P2RX3 P56373 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAF1 P04049 1/20 0.40
EPHX2 P34913 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
PYGL P06737 2/20 0.39
PYGM P11217 2/20 0.39
RAPGEF3 O95398 1/20 0.39
RAB9A P51151 1/20 0.38
ABL1 P00519 1/20 0.38
GRM5 P41594 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
SCHEMBL1726333 0.87 USP10 (0.41) KDRALDH1A1HPGDNPSR1KMT2A
SCHEMBL28323325 0.87 KDR (0.57) KDRRAF1EPHX2MEN1KMT2A
SCHEMBL858556 0.86 PYGL (0.42) TDP1KDRP2RX3ALDH1A1RAF1
SCHEMBL29834761 0.80 P2RX3 (0.43) KDRP2RX3ALDH1A1RAF1EPHX2
SCHEMBL4328868 0.80 P2RX3 (0.43) KDRP2RX3ALDH1A1RAF1EPHX2
SCHEMBL29186391 0.80 MAPT (0.47) TDP1KDRALDH1A1HPGDNPSR1
SCHEMBL24512734 0.79 P2RX3 (0.56) KDRP2RX3RAF1EPHX2ABL1
SCHEMBL3551449 0.79 HSPB1 (0.47) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL13861723 0.78 P2RX3 (0.42) KDRP2RX3ALDH1A1RAF1EPHX2
SCHEMBL2557164 0.78 SMN1; SMN2 (0.48) KDRALDH1A1MEN1KMT2ALMNA

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 12 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
CN-102459180-A Urea derivatives as kinase inhibitors MEDOLUTION LTD 2012-05-16 CN disclosed
US-20120077851-A1 Urea Derivatives as Kinase Inhibitors MEDOLUTION LIMITED (US) 2012-03-29 US disclosed
WO-2010144499-A2 UREA DERIVATIVES AS KINASE INHIBITORS MEDOLUTION LIMITED (CN) 2010-12-16 WO 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-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 (3 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 TDP1 4811/4885KDR 7/4885P2RX3 662/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF TDP1 4842/4885KDR 7/4885P2RX3 692/4885
US-20120077851-A1 Urea Derivatives as Kinase Inhibitors MAP3K20, CDK20, MAP3K10 TDP1 1431/4885KDR 1768/4885P2RX3 3069/4885

“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.