SCHEMBL4315409

SCHEMBL4315409

O=[N+]([O-])c1cc(CO)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.41
AURKB Q96GD4 3/20 0.41
PIM1 P11309 1/20 0.39
KDR P35968 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHEK1 O14757 5/20 0.37
CDK4 P11802 2/20 0.37
BMPR1B O00238 1/20 0.37
PLK4 O00444 1/20 0.37
STK25 O00506 1/20 0.37
CIT O14578 1/20 0.37
RIOK3 O14730 1/20 0.37
IKBKB O14920 1/20 0.37
GAK O14976 1/20 0.37
DCLK1 O15075 1/20 0.37
CHUK O15111 1/20 0.37
MUSK O15146 1/20 0.37
EPHB6 O15197 1/20 0.37
PDPK1 O15530 1/20 0.37

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
SCHEMBL4315416 1.00 AURKA (0.41) AURKAAURKBPIM1KDRNPC1
SCHEMBL4322598 0.83 MAPT (0.47) AURKAAURKBPIM1KDRNPC1
SCHEMBL4322602 0.83 MAPT (0.47) AURKAAURKBPIM1KDRNPC1
SCHEMBL4312113 0.82 KDR (0.46) AURKAAURKBKDRNPC1RAB9A
SCHEMBL4312118 0.82 KDR (0.46) AURKAAURKBKDRNPC1RAB9A
SCHEMBL4315408 0.82 NPC1 (0.50) AURKAAURKBPIM1NPC1RAB9A
SCHEMBL4315404 0.82 NPC1 (0.50) AURKAAURKBPIM1NPC1RAB9A
SCHEMBL4311295 0.80 PDPK1 (0.40) AURKAAURKBKDRCHEK1CDK4
SCHEMBL4311293 0.80 PDPK1 (0.40) AURKAAURKBKDRCHEK1CDK4
SCHEMBL4320483 0.80 PTGS2 (0.52) AURKAAURKBKDRFGFR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 EP disclosed
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 AURKA 3687/4885AURKB 3438/4885PIM1 446/4885

“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.