SCHEMBL14786298

SCHEMBL14786298

Cc1ccnc2sc3c(NCC4CC4)nn(C)c3c12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 12/20 0.62
▸ CYP2C9 P11712 2/20 0.59
▸ LRRK2 Q5S007 1/20 0.40
▸ GRM1 Q13255 1/20 0.38
▸ BRD4 O60885 2/20 0.36
▸ ATAD2 Q6PL18 2/20 0.36
▸ UTS2R Q9UKP6 1/20 0.35
▸ TTK P33981 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ KHK P50053 1/20 0.33

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
SCHEMBL14794198 0.82 CHRM4 (0.65) CHRM4CYP2C9
SCHEMBL14794590 0.80 CHRM4 (0.51) CHRM4CYP2C9
SCHEMBL14794665 0.80 CHRM4 (0.51) CHRM4CYP2C9
SCHEMBL16273201 0.77 CHRM4 (0.61) CHRM4CYP2C9
SCHEMBL14794539 0.77 CHRM4 (0.70) CHRM4CYP2C9
SCHEMBL16279960 0.77 CHRM4 (1.00) CHRM4CYP2C9
SCHEMBL14794543 0.76 CHRM4 (0.68) CHRM4CYP2C9GRM1
SCHEMBL14794114 0.76 CHRM4 (0.57) CHRM4CYP2C9LRRK2GRM1
SCHEMBL14794207 0.75 CHRM4 (0.57) CHRM4CYP2C9BRD4ATAD2
SCHEMBL14794670 0.75 CHRM4 (0.56) CHRM4CYP2C9

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 9 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
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 1/4885CYP2C9 2121/4885LRRK2 1266/4885

“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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