SCHEMBL14794597

SCHEMBL14794597

Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)n[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 12/20 1.00
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HTT P42858 4/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47

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
SCHEMBL14786166 0.84 CHRM4 (1.00) CHRM4ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL14794094 0.83 CHRM4 (0.71) CHRM4ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14794649 0.82 CHRM4 (0.73) CHRM4ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL14794144 0.82 CHRM4 (0.69) CHRM4ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14794768 0.80 CHRM4 (0.67) CHRM4ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14786148 0.80 CHRM4 (1.00) CHRM4KDM4EHSD17B10MEN1KMT2A
SCHEMBL14794552 0.80 CHRM4 (0.72) CHRM4ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL14786123 0.79 CHRM4 (0.75) CHRM4ALDH1A1KDM4EHPGDMEN1
SCHEMBL14794409 0.78 CHRM4 (0.69) CHRM4ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14786175 0.78 CHRM4 (1.00) CHRM4

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 6 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-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 CHRM4 1/4885ALDH1A1 3201/4885SMN1; SMN2 2860/4885

“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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