SCHEMBL3702833

SCHEMBL3702833

Clc1ccc(-c2nnc(Nc3ccc(Oc4ccnc5ccoc45)cc3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.50
ENPP3 O14638 4/20 0.49
MAPT P10636 6/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.43
AURKA O14965 3/20 0.43
AURKB Q96GD4 2/20 0.43
TPX2 Q9ULW0 2/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3702543 0.84 MAPT (0.49) ENPP3MAPTLMNAPOLBAURKA
SCHEMBL2966793 0.84 KDR (0.51) KDRENPP3MAPTLMNAGAA
SCHEMBL2209159 0.83 KDR (0.50) KDRENPP3MAPTLMNAGAA
SCHEMBL3703048 0.83 KDR (0.50) KDRENPP3MAPTLMNAGAA
SCHEMBL2210774 0.81 AURKA (0.49) KDRENPP3MAPTLMNAGAA
SCHEMBL15663382 0.81 MAPT (0.54) KDRENPP3MAPTLMNATP53
SCHEMBL2209315 0.81 MAPT (0.54) KDRENPP3MAPTLMNAPOLB
SCHEMBL3699255 0.81 KDR (0.49) KDRENPP3MAPTLMNAGAA
SCHEMBL2207096 0.80 MAPT (0.50) KDRENPP3MAPTLMNAGAA
SCHEMBL2204419 0.80 KDR (0.49) KDRENPP3MAPTLMNAGAA

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-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US claimed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 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-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDR 644/4885ENPP3 1630/4885MAPT 1693/4885

“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.