SCHEMBL3699255

SCHEMBL3699255

Clc1ccc(-c2nnc(Nc3ccc(Sc4ccnc5ccoc45)cc3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.49
ENPP3 O14638 3/20 0.49
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE3A Q14432 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3700725 0.92 ENPP3 (0.46) KDRENPP3GAAMAPTALDH1A1
SCHEMBL2204288 0.89 KDR (0.40) KDRENPP3GAAMAPTALDH1A1
SCHEMBL15663807 0.87 KDR (0.53) KDRENPP3GAAMAPTALDH1A1
SCHEMBL3698986 0.86 GAA (0.40) KDRENPP3GAAMAPTHPGD
SCHEMBL3697715 0.85 KDR (0.47) KDRENPP3GAAMAPTALDH1A1
SCHEMBL3697300 0.85 MAPT (0.49) ENPP3GAAMAPTALDH1A1HPGD
SCHEMBL2207977 0.84 ENPP3 (0.46) ENPP3GAAMAPTKMT2APOLB
SCHEMBL3706684 0.84 MAPT (0.42) KDRENPP3GAAMAPTALDH1A1
SCHEMBL3695707 0.84 ENPP3 (0.45) ENPP3MAPTKMT2APOLB
SCHEMBL3711392 0.84 KDR (0.51) KDRENPP3GAAMAPTALDH1A1

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 1630/4885GAA 1887/4885

“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.