SCHEMBL14794655

SCHEMBL14794655

CC(=O)N1CCC(CNc2nn(C)c3c2sc2nc(C)cc(C)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 9/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ CYP11B2 P19099 1/20 0.38
▸ NPY5R Q15761 2/20 0.38
▸ POLB P06746 1/20 0.37

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 0.88 CHRM4 (0.65) CHRM4CYP2C9ALDH1A1KDM4EHPGD
SCHEMBL14794224 0.88 CHRM4 (0.48) CHRM4CYP2C9ALDH1A1KDM4EHPGD
SCHEMBL14794670 0.87 CHRM4 (0.56) CHRM4CYP2C9ALDH1A1KDM4EHPGD
SCHEMBL16273201 0.85 CHRM4 (0.61) CHRM4CYP2C9ALDH1A1KDM4EHPGD
SCHEMBL14794207 0.84 CHRM4 (0.57) CHRM4CYP2C9ALDH1A1KDM4EHPGD
SCHEMBL16279239 0.81 CHRM4 (0.77) CHRM4CYP2C9JAK2JAK3CYP11B2
SCHEMBL14794644 0.77 CHRM4 (0.68) CHRM4CYP2C9ALDH1A1KDM4EHPGD
SCHEMBL16273189 0.76 CHRM4 (0.45) CHRM4CYP2C9ALDH1A1KDM4EMAPT
SCHEMBL14794096 0.76 ALDH1A1 (0.64) CHRM4CYP2C9ALDH1A1KDM4EHTT
SCHEMBL14794579 0.76 CHRM4 (0.48) 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 7 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 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 CHRM4 1/4885CYP2C9 2121/4885ALDH1A1 3201/4885

“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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