Sugi Predict

Sugi Predict / Compounds / SCHEMBL1720717

SCHEMBL1720717

SCHEMBL1720717

CCc1c(C)sc(N)c1C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.46
▸ HSD17B10 Q99714 7/20 0.46
▸ MAPT P10636 6/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ HPGD P15428 6/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 3/20 0.39
▸ GRM6 O15303 1/20 0.39
▸ GAA P10253 3/20 0.37

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
SCHEMBL21605471 0.85 L3MBTL1 (0.57) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL24488063 0.80 L3MBTL1 (0.42) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL10713769 0.80 L3MBTL1 (0.42) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL17194179 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL14514239 0.74 MEN1 (0.36) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL10308584 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL641581 0.74 GRM6 (0.52) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL1720715 0.73 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL1621985 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL12134311 0.72 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 — — EP claimed
EP-3810613-B1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2023-01-11 — — EP disclosed
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 — — CN disclosed
WO-2019244047-A1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-12-26 — — WO disclosed
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 — — CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 — — EP disclosed
CN-106380475-B A kind of thieno [2,3 d] pyrimidines and its preparation method and application 湖北民族学院 2018-03-09 — — CN disclosed
CN-101779124-B Modulation of chemosensory receptors and ligands associated therewith 西诺米克斯公司 2017-12-12 — — CN disclosed
CN-107365319-A The regulation carried out to actinism acceptor and relative part 西诺米克斯公司 2017-11-21 — — CN disclosed
CN-106380475-A Thieno [2, 3-d] pyrimidine compound, preparation method thereof and application thereof 湖北民族学院 2017-02-08 — — CN disclosed
WO-2012066578-A2 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-05-24 — — WO disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 — — US disclosed
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 — — CN disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 — — WO disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 — — US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 — — US disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 — — US disclosed
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 — — US disclosed
EP-0224140-A1 Thienyl urea derivatives BAYER AG (DE) 1987-06-03 — — 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 (2 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 ALDH1A1 2830/4885HSD17B10 3989/4885MAPT 3256/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885HSD17B10 4565/4885MAPT 3087/4885

“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.