SCHEMBL14794167

SCHEMBL14794167

CCC(=O)Nc1nn(C)c2c1sc1nc(C)cc(C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.49
▸ ALDH1A1 P00352 9/20 0.49
▸ HTT P42858 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPT P10636 5/20 0.43
▸ CASP1 P29466 3/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CHRM4 P08173 2/20 0.39
▸ G6PD P11413 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL14794096 0.84 ALDH1A1 (0.64) KDM4EALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL16273189 0.82 CHRM4 (0.45) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL14794627 0.81 NPC1 (0.51) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL16273207 0.81 MAPT (0.51) KDM4EALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL14794538 0.80 LMNA (0.51) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL14794611 0.80 ALDH1A1 (0.57) KDM4EALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL14794642 0.77 CHRM4 (0.43) KDM4EALDH1A1HTTMAPTCHRM4
SCHEMBL14794469 0.77 PRKCI (0.46) KDM4ECHRM4IKBKBCHUKPRKACA
SCHEMBL14794610 0.77 CHRM4 (0.43) KDM4ECHRM4
SCHEMBL14794138 0.75 CHRM4 (0.41) KDM4EALDH1A1HTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056876-B2 Substituted 1H-pyrazolo[3′,4′,4,5]thieno[2,3-b]pyridin-3-amine analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2015-06-16 — — US claimed
US-9056876-B2 Substituted 1H-pyrazolo[3′,4′,4,5]thieno[2,3-b]pyridin-3-amine analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2015-06-16 — — US disclosed
US-9056876-B2 Substituted 1H-pyrazolo[3′,4′,4,5]thieno[2,3-b]pyridin-3-amine analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2015-06-16 — — US disclosed
US-9056876-B2 Substituted 1H-pyrazolo[3′,4′,4,5]thieno[2,3-b]pyridin-3-amine analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2015-06-16 — — US disclosed
US-20140357615-A1 SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2014-12-04 — — US disclosed
US-20140357615-A1 SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2014-12-04 — — US disclosed
US-20140357615-A1 SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2014-12-04 — — US disclosed
WO-2013040534-A1 SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATIORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2013-03-21 — — 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 (1 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-20140357615-A1 SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 CHRM4, CHRM3, CHRM5 KDM4E 1138/4885ALDH1A1 3201/4885HTT 1870/4885

“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.

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