Sugi Predict

Sugi Predict / Compounds / SCHEMBL2875439

SCHEMBL2875439

SCHEMBL2875439

Cc1cc(-c2cccs2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ MAPT P10636 4/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ AHR P35869 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.53
▸ APP P05067 1/20 0.52
▸ POLB P06746 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ FLT3 P36888 1/20 0.45
▸ USP2 O75604 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL1665919 0.79 ADORA3 (0.62) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL15088445 0.78 KMT2A (0.57) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL10220185 0.77 KMT2A (0.53) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL10271770 0.77 KMT2A (0.55) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL22535527 0.77 KMT2A (0.53) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL12038433 0.77 APP (0.59) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL13692368 0.75 KMT2A (0.75) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL27420066 0.75 KMT2A (0.71) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL18674814 0.74 KMT2A (0.39) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL23611765 0.74 KMT2A (0.53) KMT2AMEN1MAPTNFKB1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106946877-B A kind of preparation method and the compound of nitrogenous fused heterocyclic compound 沈阳师范大学 2019-05-24 — — CN disclosed
CN-106946877-A The preparation method and the compound of a kind of nitrogenous fused heterocyclic compound 沈阳师范大学 2017-07-14 — — CN disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 — — US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 — — US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 — — US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 — — US disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 — — EP disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 — — EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 — — EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 — — US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 — — US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 — — WO disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 — — US 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 (8 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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3775/4885MEN1 4735/4885MAPT 4063/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3775/4885MEN1 4735/4885MAPT 4063/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 KMT2A 3499/4885MEN1 4690/4885MAPT 3524/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMT2A 2891/4885MEN1 3838/4885MAPT 268/4885

“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.