Sugi Predict

Sugi Predict / Compounds / SCHEMBL2176873

SCHEMBL2176873

SCHEMBL2176873

Cn1cnc(CC(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ HRH4 Q9H3N8 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ HTT P42858 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ CPB2 Q96IY4 4/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ TBXAS1 P24557 1/20 0.33
▸ TRHR P34981 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ SCN9A Q15858 2/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ CPB1 P15086 2/20 0.32

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
SCHEMBL876467 0.82 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27340963 0.82 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12174842 0.82 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL9953900 0.81 CYP2C9 (0.59) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27480424 0.81 CYP2C9 (0.53) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL1373085 0.81 TDP1 (0.52) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL7842865 0.81 CYP2C9 (0.48) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL7422764 0.80 TDP1 (0.61) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL14665172 0.79 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL9094562 0.79 TDP1 (0.55) CYP2C9TSHRCYP2C19MTORHRH4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 — — US claimed
CN-108699032-B Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2022-07-22 — — CN disclosed
US-9302993-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2016-04-05 — — US disclosed
US-20150335635-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2015-11-26 — — US disclosed
US-9169211-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2015-10-27 — — US disclosed
US-20150094334-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2015-04-02 — — US disclosed
US-8975278-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2015-03-10 — — US disclosed
US-20150025108-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2015-01-22 — — US disclosed
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 — — US disclosed
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 — — US disclosed
EP-2051983-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2009-04-29 — — EP disclosed
US-20080161353-A1 8-Hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2008-07-03 — — US disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 — — WO disclosed
WO-2008035209-A2 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-27 — — WO disclosed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 — — WO disclosed
EP-1539700-A4 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LTD (AU) 2006-06-28 — — EP disclosed
US-20060135516-A1 3-(Carbonyl) 1h-indazole compounds as cyclin dependent kinases (cdk) inhibitors ASTEX TECHNOLOGY, LTD. (GB) 2006-06-22 — — US disclosed
US-20060089380-A1 8-Hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LTD. (AU) 2006-04-27 — — US disclosed
EP-1539700-A1 8-HYDROXY QUINOLINE DERIVATIVES Prana Biotechnology Ltd (AU) 2005-06-15 — — EP disclosed
WO-2004007461-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2004-01-22 — — 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 (7 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-20150335635-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN CYP2C9 391/4885TSHR 3214/4885CYP2C19 435/4885
US-20080161353-A1 8-Hydroxy quinoline derivatives PARK7, COQ8A, NLN CYP2C9 391/4885TSHR 3214/4885CYP2C19 435/4885
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 CYP2C9 4321/4885TSHR 1194/4885CYP2C19 4352/4885
US-20060135516-A1 3-(Carbonyl) 1h-indazole compounds as cyclin dependent kinases (cdk) inhibitors CCNI, CDK3, CDK2 CYP2C9 910/4885TSHR 2924/4885CYP2C19 885/4885
US-20150025108-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN CYP2C9 391/4885TSHR 3214/4885CYP2C19 435/4885
US-20060089380-A1 8-Hydroxy quinoline derivatives PARK7, HTT, SNCA CYP2C9 1105/4885TSHR 4443/4885CYP2C19 1040/4885
US-20150094334-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN CYP2C9 391/4885TSHR 3214/4885CYP2C19 435/4885

“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.