SCHEMBL3052832

SCHEMBL3052832

O=C(Nc1ccccc1CO)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(=O)NC4)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 2/20 0.47
KDR P35968 7/20 0.41
AURKA O14965 5/20 0.41
CDK1 P06493 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SLC16A3 O15427 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.35
MAPKAPK2 P49137 2/20 0.35
RPS6KA3 P51812 1/20 0.35
RPS6KA2 Q15349 1/20 0.35
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
WEE1 P30291 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34

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
SCHEMBL3042431 0.86 KDR (0.45) NHERF1KDRAURKACDK1MAPT
SCHEMBL3043663 0.84 NHERF1 (0.46) NHERF1KDRAURKACDK1MAPT
SCHEMBL3046947 0.83 AURKA (0.46) KDRAURKACDK1TP53MAPT
SCHEMBL3041519 0.82 HPGD (0.45) KDRAURKACDK1TP53MAPT
SCHEMBL27720747 0.82 NHERF1 (0.46) NHERF1KDRTP53MAPTSLC16A3
SCHEMBL3042291 0.81 KDR (0.42) KDRAURKACDK1CLK1CLK2
SCHEMBL3041856 0.81 PYGL (0.47) NHERF1KDRAURKACDK1MAPT
SCHEMBL3039016 0.81 KDR (0.44) KDRAURKACDK1TP53MAPT
SCHEMBL3043905 0.81 MAOB (0.45) NHERF1KDRAURKACDK1TP53
SCHEMBL3047764 0.80 KDR (0.49) KDRAURKACDK1CLK1CLK2

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NHERF1 670/4885KDR 3226/4885AURKA 2312/4885

“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.