SCHEMBL14366341

SCHEMBL14366341

O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ncn1)N(C1CCOCC1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.42
BRAF P15056 3/20 0.42
MET P08581 1/20 0.39
RAF1 P04049 6/20 0.39
MAPK3 P27361 4/20 0.38
HSPB1 P04792 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 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
SCHEMBL4337536 0.91 KDR (0.42) KDRBRAFMETRAF1MAPK3
SCHEMBL4337547 0.81 RAF1 (0.47) KDRBRAFRAF1MAPK3HSPB1
SCHEMBL13860912 0.80 KDR (0.47) KDRMETRAF1MAPK3HSPB1
SCHEMBL4323202 0.80 GSK3B (0.44) KDRBRAFRAF1MAPK3HSPB1
SCHEMBL4334131 0.79 KDR (0.41) KDRBRAFRAF1MAPK3HSPB1
SCHEMBL2259653 0.79 RAF1 (0.50) KDRBRAFRAF1MAPK3HSPB1
SCHEMBL4327004 0.78 KDR (0.42) KDRBRAFRAF1MAPK3HSPB1
SCHEMBL13861222 0.78 KDR (0.42) KDRBRAFRAF1MAPK3HSPB1
SCHEMBL4321307 0.78 KDR (0.42) KDRBRAFRAF1MAPK3HSPB1
SCHEMBL13861244 0.77 KDR (0.43) KDRBRAFRAF1MAPK3HSPB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 68/4885MET 2/4885

“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.