Sugi Predict

Sugi Predict / Compounds / SCHEMBL3001255

SCHEMBL3001255

SCHEMBL3001255

CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccccc1-c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.71
▸ LMNA P02545 5/20 0.71
▸ POLB P06746 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ KMT2A Q03164 4/20 0.59
▸ MAPT P10636 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ TSHR P16473 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ GLA P06280 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL3009185 0.91 ALDH1A1 (0.72) ALDH1A1LMNAPOLBPKMNPSR1
SCHEMBL3001221 0.91 ALDH1A1 (0.72) ALDH1A1LMNAPOLBPKMNPSR1
SCHEMBL4255401 0.84 ALDH1A1 (0.67) ALDH1A1LMNAPOLBPKMNPSR1
SCHEMBL4259169 0.84 ALDH1A1 (0.64) ALDH1A1LMNAPOLBPKMNPSR1
SCHEMBL3246503 0.83 ALDH1A1 (0.68) ALDH1A1LMNAPOLBPKMNPSR1
SCHEMBL2994423 0.83 ALDH1A1 (0.66) ALDH1A1LMNAPOLBPKMNPSR1
SCHEMBL3007227 0.83 ALDH1A1 (0.63) ALDH1A1LMNAPOLBPKMNPSR1
SCHEMBL4257057 0.83 ALDH1A1 (0.77) ALDH1A1LMNAPOLBPKMNPSR1
SCHEMBL10471718 0.82 ALDH1A1 (0.73) ALDH1A1LMNAPOLBPKMNPSR1
SCHEMBL2996112 0.82 ALDH1A1 (0.76) ALDH1A1LMNAPOLBPKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 — — US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 — — US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 — — US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 — — US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 — — US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 — — US disclosed
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 — — 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885POLB 3337/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885POLB 3337/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885POLB 3337/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885POLB 3337/4885

“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.