SCHEMBL4320481

SCHEMBL4320481

CN(C)c1ccc(/C=C/c2n[nH]c3ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.52
ACHE P22303 5/20 0.46
BCHE P06276 2/20 0.46
BACE1 P56817 4/20 0.44
KDR P35968 2/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPT P10636 1/20 0.39
FGFR1 P11362 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
SCHEMBL4320483 1.00 PTGS2 (0.52) PTGS2ACHEBCHEBACE1KDR
SCHEMBL4322602 0.83 MAPT (0.47) KDRAURKAAURKBMAPTFGFR1
SCHEMBL4322598 0.83 MAPT (0.47) KDRAURKAAURKBMAPTFGFR1
SCHEMBL4315404 0.82 NPC1 (0.50) AURKAAURKBMAPT
SCHEMBL4315408 0.82 NPC1 (0.50) AURKAAURKBMAPT
SCHEMBL4316960 0.80 KDR (0.47) KDRAURKAAURKBFGFR1
SCHEMBL4316962 0.80 KDR (0.47) KDRAURKAAURKBFGFR1
SCHEMBL4312113 0.80 KDR (0.46) KDRAURKAAURKBFGFR1
SCHEMBL4315416 0.80 AURKA (0.41) KDRAURKAAURKBMAPTFGFR1
SCHEMBL4315409 0.80 AURKA (0.41) KDRAURKAAURKBMAPTFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 PTGS2 4420/4885ACHE 4528/4885BCHE 4617/4885

“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.