Sugi Predict

Sugi Predict / Compounds / SCHEMBL787604

SCHEMBL787604

SCHEMBL787604

Nc1c(Cc2ccccc2)nc2ccccc2c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ HPGD P15428 3/20 0.57
▸ GLA P06280 2/20 0.57
▸ CASP1 P29466 2/20 0.57
▸ CASP7 P55210 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ NQO2 P16083 1/20 0.57
▸ MAOA P21397 1/20 0.57
▸ DRD1 P21728 1/20 0.57
▸ ACHE P22303 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57

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
SCHEMBL21847406 0.84 HSP90AB1 (0.55) ALDH1A1ACHEHTTLMNAMAPT
SCHEMBL30842220 0.84 HSP90AB1 (0.55) ALDH1A1ACHEHTTLMNAMAPT
SCHEMBL843444 0.82 ACHE (0.44) KDM4EALDH1A1HSD17B10HPGDGLA
SCHEMBL20475930 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10HPGDGLA
SCHEMBL28802624 0.81 HRH3 (0.53) KDM4EALDH1A1HSD17B10HPGDCHRM2
SCHEMBL28175543 0.80 KMT2A (0.62) KDM4EALDH1A1HSD17B10HPGDGLA
SCHEMBL4376577 0.80 EGFR (0.42) KDM4EALDH1A1HSD17B10HPGDGLA
SCHEMBL1903676 0.80 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDGLA
SCHEMBL1904894 0.80 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDGLA
SCHEMBL6072067 0.80 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948173-B1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 — — EP disclosed
US-8377957-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 — — US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 — — US disclosed
WO-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 — — WO disclosed
EP-1948173-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-07-30 — — EP disclosed
WO-2007056112-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-05-18 — — 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-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 KDM4E 2017/4885ALDH1A1 517/4885HSD17B10 1013/4885

“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.