SCHEMBL14786196

SCHEMBL14786196

Cc1cc(C)c2c(n1)sc1c(N)nn(C)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.52
▸ CHUK O15111 2/20 0.52
▸ PRKACA P17612 2/20 0.52
▸ LIMK1 P53667 2/20 0.52
▸ CDC7 O00311 1/20 0.52
▸ PLK4 O00444 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ PIM1 P11309 1/20 0.52
▸ RPS6KB1 P23443 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ MARK3 P27448 1/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ FLT4 P35916 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ CSNK1D P48730 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ PRKCD Q05655 1/20 0.52
▸ ITK Q08881 1/20 0.52

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
SCHEMBL16273198 0.85 CHRM4 (0.50) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL14794456 0.82 IKBKB (0.47) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL14794149 0.81 IKBKB (0.46) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL16267178 0.80 KDM4E (0.48) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL14794458 0.79 IKBKB (0.44) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL16267119 0.78 KDM4E (0.48) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL14794642 0.77 CHRM4 (0.43) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL16273189 0.77 CHRM4 (0.45) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL14794182 0.74 ALDH1A1 (0.46) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL14794610 0.74 CHRM4 (0.43) CHRM4KDM4EKMT2A

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 IKBKB 4170/4885CHUK 2920/4885PRKACA 2332/4885

“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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