SCHEMBL2208779

SCHEMBL2208779

N#Cc1ccc2c(Sc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3)ccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.42
ABCG2 Q9UNQ0 8/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
PDE5A O76074 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL2211872 0.93 KDR (0.46) ENPP3GAAKDM4EALDH1A1CYP1A2
SCHEMBL2210377 0.86 ENPP3 (0.50) ENPP3GAAKDM4EALDH1A1CYP1A2
SCHEMBL15663572 0.83 MAPT (0.53) ENPP3GAAKDM4EALDH1A1MAPT
SCHEMBL16233095 0.83 MAP2K1 (0.44) ENPP3KDM4EALDH1A1MAPTHPGD
SCHEMBL3707231 0.82 ENPP3 (0.43) ENPP3GAAKDM4EALDH1A1CYP1A2
SCHEMBL2209486 0.81 FGFR2 (0.48) ENPP3ABCG2GAAKDM4EALDH1A1
SCHEMBL2210670 0.81 KDR (0.45) ENPP3GAAKDM4EALDH1A1CYP1A2
SCHEMBL2206693 0.81 ENPP3 (0.47) ENPP3GAAKDM4EALDH1A1CYP1A2
SCHEMBL3701300 0.81 ENPP3 (0.47) ENPP3GAAKDM4EALDH1A1CYP1A2
SCHEMBL2210062 0.80 KDR (0.52) ENPP3KDM4EALDH1A1MAPTHPGD

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-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US claimed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 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-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 ENPP3 1630/4885ABCG2 1010/4885GAA 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.