Sugi Predict

Sugi Predict / Compounds / SCHEMBL1407405

SCHEMBL1407405

SCHEMBL1407405

Cc1ccccc1-c1cc(N)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ HPGD P15428 3/20 0.57
▸ ALOX15 P16050 3/20 0.57
▸ USP2 O75604 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ TSHR P16473 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ KMT2A Q03164 4/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PDPK1 O15530 1/20 0.46

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
Tert-Butyl Formate SCHEMBL27799781 0.84 HSD17B10 (0.51) HSD17B10SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL17280247 0.81 ALOX15 (0.75) HSD17B10SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL21262770 0.81 RAB9A (0.60) HSD17B10SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL24299072 0.79 HPGD (0.68) HSD17B10SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL28580098 0.78 HSD17B10 (0.58) HSD17B10SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL18191211 0.78 HSD17B10 (0.58) HSD17B10SMN1; SMN2HPGDUSP2MAPT
SCHEMBL17962550 0.78 HPGD (0.57) HSD17B10SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL29930877 0.77 HSD17B10 (1.00) HSD17B10SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL23611724 0.77 HSD17B10 (1.00) HSD17B10SMN1; SMN2RAB9AHPGDALOX15
SCHEMBL17279997 0.76 RAB9A (0.69) SMN1; SMN2RAB9AHPGDALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 — — EP disclosed
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 — — CN disclosed
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 — — EP disclosed
EP-1836206-B1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2011-03-09 — — EP disclosed
EP-1836206-B1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2011-03-09 — — EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 — — US disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 — — CN disclosed
US-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 — — US disclosed
US-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 — — US disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 — — EP disclosed
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 — — US disclosed
WO-2009091832-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-07-23 — — WO disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 — — WO disclosed
EP-1836206-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Bristol-Myers Squibb Company (US) 2007-09-26 — — EP disclosed
US-20060178377-A1 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 — — US disclosed
WO-2006071752-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 — — WO disclosed
WO-2006071752-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 — — 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A HSD17B10 1051/4885SMN1; SMN2 4585/4885RAB9A 2331/4885
US-20060178377-A1 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 HSD17B10 1754/4885SMN1; SMN2 4285/4885RAB9A 3791/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 HSD17B10 2203/4885SMN1; SMN2 1693/4885RAB9A 1275/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 HSD17B10 2181/4885SMN1; SMN2 2755/4885RAB9A 1664/4885

“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.