SCHEMBL14794149

SCHEMBL14794149

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.46
▸ CHUK O15111 2/20 0.46
▸ PRKACA P17612 2/20 0.46
▸ LIMK1 P53667 2/20 0.46
▸ CDC7 O00311 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MARK3 P27448 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ ITK Q08881 1/20 0.46

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
SCHEMBL14794456 0.89 IKBKB (0.47) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL16273193 0.87 SMN1; SMN2 (0.47) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL14794458 0.85 IKBKB (0.44) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL14786196 0.81 IKBKB (0.52) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL16273188 0.81 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTGAAATM
SCHEMBL14794598 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HTTCHRM4NPC1
SCHEMBL14794648 0.77 CHRM4 (0.54) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL16273199 0.76 CHRM4 (0.53) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL16267178 0.76 KDM4E (0.48) IKBKBCHUKPRKACALIMK1CDC7
SCHEMBL16273211 0.75 CHRM4 (0.45) IKBKBCHUKPRKACALIMK1CDC7

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 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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