SCHEMBL14794207

SCHEMBL14794207

Cc1cc(C)c2c(n1)sc1c(NCC3CCNCC3)nn(C)c12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 16/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ BRD4 O60885 2/20 0.41
▸ ATAD2 Q6PL18 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PRKCI P41743 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 0.93 CHRM4 (0.65) CHRM4CYP2C9KDM4ENPC1ALDH1A1
SCHEMBL16273201 0.90 CHRM4 (0.61) CHRM4CYP2C9KDM4ENPC1ALDH1A1
SCHEMBL14794670 0.87 CHRM4 (0.56) CHRM4CYP2C9KDM4ENPC1ALDH1A1
SCHEMBL14794579 0.84 CHRM4 (0.48) CHRM4CYP2C9PRKCI
SCHEMBL14794655 0.84 CHRM4 (0.52) CHRM4CYP2C9KDM4ENPC1ALDH1A1
SCHEMBL14794644 0.81 CHRM4 (0.68) CHRM4CYP2C9KDM4EALDH1A1HPGD
SCHEMBL16273189 0.80 CHRM4 (0.45) CHRM4CYP2C9KDM4EALDH1A1
SCHEMBL14794224 0.79 CHRM4 (0.48) CHRM4CYP2C9BRD4KDM4ENPC1
SCHEMBL16279850 0.79 CHRM4 (0.85) CHRM4CYP2C9BRD4ATAD2
SCHEMBL14794562 0.78 CHRM4 (0.46) CHRM4CYP2C9KDM4E

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 CHRM4 1/4885CYP2C9 2121/4885BRD4 462/4885

“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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