Sugi Predict

Sugi Predict / Compounds / SCHEMBL9738718

SCHEMBL9738718

SCHEMBL9738718

Cc1ncc(CN2CCCC2)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 8/20 0.50
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ GAA P10253 1/20 0.49
▸ POLB P06746 2/20 0.49
▸ PDE2A O00408 1/20 0.48
▸ RECQL P46063 2/20 0.48
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL13865731 0.98 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL6839505 0.98 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL12058781 0.96 POLB (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL10891097 0.86 RECQL (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL470928 0.86 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL12431740 0.85 POLB (0.48) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL9071079 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL19002116 0.83 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL13865733 0.82 POLB (0.56) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL1724923 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4600025-A 2-METHYL-5(HETEROMETHYL)THIAZOLE GRIGG RONALD E 1986-07-15 — — US claimed
EP-0034481-B1 2-METHYL-5-THIAZOLE-METHYLAMINE AND CARBOXAMIDE DERIVATIVES Grigg, Ronald Ernest (GB) 1984-05-30 — — EP claimed
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 — — WO disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 — — US disclosed
EP-2768834-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-27 — — EP disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 — — US disclosed
US-20140249147-A1 Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators GlaxoSmithKline, LLC (US) 2014-09-04 — — US disclosed
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 — — EP disclosed
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 — — US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 — — US disclosed
US-5135010-A Nicotine-free; mixture of dried leaves from laurus nobilis and neumbo garetin FAN SOPHIE S M (US) 1992-08-04 — — US disclosed
US-4600025-A 2-METHYL-5(HETEROMETHYL)THIAZOLE GRIGG RONALD E 1986-07-15 — — US disclosed
US-4600025-A 2-METHYL-5(HETEROMETHYL)THIAZOLE GRIGG RONALD E 1986-07-15 — — US disclosed
EP-0034481-B1 2-METHYL-5-THIAZOLE-METHYLAMINE AND CARBOXAMIDE DERIVATIVES Grigg, Ronald Ernest (GB) 1984-05-30 — — EP disclosed
EP-0034481-A1 2-Methyl-5-thiazole-methylamine and carboxamide derivatives Grigg, Ronald Ernest (GB) 1981-08-26 — — EP 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 (5 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-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2001/4885ALDH1A1 1480/4885MEN1 4061/4885
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 SMN1; SMN2 2318/4885ALDH1A1 2062/4885MEN1 4054/4885
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2484/4885ALDH1A1 2140/4885MEN1 2961/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2001/4885ALDH1A1 1480/4885MEN1 4061/4885
US-20140249147-A1 Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators SIRT1, SIRT3, SIRT2 SMN1; SMN2 2051/4885ALDH1A1 1510/4885MEN1 4078/4885

“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.