SCHEMBL4314836

SCHEMBL4314836

O=C(Nc1ccccc1/C=C/c1n[nH]c2ccccc12)c1ccc(Br)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KDR P35968 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MITF O75030 1/20 0.42
EPHB3 P54753 1/20 0.41
SNCA P37840 2/20 0.39
KMT2A Q03164 3/20 0.37
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
CHEK1 O14757 2/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 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

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
SCHEMBL4314846 1.00 ALDH1A1 (0.46) ALDH1A1POLBKDRNPC1RAB9A
SCHEMBL4319184 0.88 KDR (0.51) KDREPHB3SNCAAURKAAURKB
SCHEMBL4320826 0.88 KDR (0.42) KDREPHB3SNCAAURKAAURKB
SCHEMBL4320816 0.88 KDR (0.42) KDREPHB3SNCAAURKAAURKB
SCHEMBL4319176 0.88 KDR (0.51) KDREPHB3SNCAAURKAAURKB
SCHEMBL4313818 0.88 SMN1; SMN2 (0.46) ALDH1A1KDRNPC1RAB9AEPHB3
SCHEMBL4313824 0.88 SMN1; SMN2 (0.46) ALDH1A1KDRNPC1RAB9AEPHB3
SCHEMBL4322679 0.85 ALDH1A1 (0.42) ALDH1A1POLBKDRNPC1RAB9A
SCHEMBL4322671 0.85 ALDH1A1 (0.42) ALDH1A1POLBKDRNPC1RAB9A
SCHEMBL4314375 0.85 MAPT (0.47) ALDH1A1POLBKDRNPC1RAB9A

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 ALDH1A1 1250/4885POLB 4393/4885KDR 75/4885

“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.