SCHEMBL5486153

SCHEMBL5486153

Cc1nc(N2CCC(O)C2)c2ccc(O)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
CASP1 P29466 3/20 0.45
CASP7 P55210 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 2/20 0.45
RAD52 P43351 1/20 0.45
NPY5R Q15761 1/20 0.44
ENPP1 P22413 1/20 0.43
MAP2K7 O14733 4/20 0.43
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 3/20 0.39

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
SCHEMBL5486148 1.00 KDM4E (0.45) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL5484991 0.81 ENPP1 (0.44) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL5484986 0.81 ENPP1 (0.44) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL5491482 0.81 MEN1 (0.60) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL5485947 0.79 ENPP1 (0.47) NPY5RENPP1CCNE2CCNE1CDK2
SCHEMBL5485939 0.79 ENPP1 (0.47) NPY5RENPP1CCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL5485968 0.75 ENPP1 (0.43) KDM4ECASP1CASP7HSD17B10ENPP1
Hydrochloric Acid SCHEMBL5485971 0.75 ENPP1 (0.43) KDM4ECASP1CASP7HSD17B10ENPP1
SCHEMBL22911951 0.72 HRH4 (0.46) ENPP1KMT2AMEN1HRH4HRH3
SCHEMBL28730064 0.72 HRH4 (0.46) ENPP1KMT2AMEN1HRH4HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US disclosed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO 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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 KDM4E 1709/4885CASP1 1304/4885CASP7 1215/4885

“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.