SCHEMBL4328009

SCHEMBL4328009

Cc1cc(Oc2ccnc(C(N)=O)c2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.49
BRAF P15056 6/20 0.43
KDR P35968 2/20 0.41
P2RX3 P56373 6/20 0.41
EPHX2 P34913 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
SCHEMBL14319831 0.88 RAF1 (0.48) RAF1BRAFKDRP2RX3
SCHEMBL618015 0.85 KDR (0.59) RAF1BRAFKDREPHX2
Hydrochloric Acid SCHEMBL621069 0.84 KDR (0.58) RAF1BRAFKDREPHX2
SCHEMBL257959 0.84 RAF1 (0.50) RAF1BRAFKDRP2RX3
SCHEMBL1137124 0.83 RAF1 (0.53) RAF1BRAFKDRP2RX3
SCHEMBL400969 0.83 RAF1 (0.47) RAF1BRAFKDRP2RX3EPHX2
SCHEMBL17242285 0.82 P2RX3 (0.41) RAF1KDRP2RX3
SCHEMBL177841 0.82 PARP10 (0.54) RAF1BRAFKDRP2RX3EPHX2
SCHEMBL9926361 0.82 RAF1 (0.52) RAF1BRAFKDRP2RX3
SCHEMBL4359684 0.81 RAF1 (0.46) RAF1BRAFKDRP2RX3EPHX2

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 RAF1 162/4885BRAF 68/4885KDR 7/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF RAF1 145/4885BRAF 64/4885KDR 7/4885

“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.