SCHEMBL14794624

SCHEMBL14794624

Cc1ccc2c(n1)sc1c(NC(=O)c3ccccc3)nn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ADORA3 P0DMS8 5/20 0.42
▸ ADORA1 P30542 3/20 0.42
▸ ADORA2A P29274 3/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ P2RX3 P56373 1/20 0.39

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
SCHEMBL16273208 0.91 ALDH1A1 (0.44) NPC1RAB9AMAPTADORA3ADORA2A
SCHEMBL14794627 0.83 NPC1 (0.51) NPC1RAB9AMAPTADORA3ADORA1
SCHEMBL11216887 0.80 ALDH1A1 (0.48) NPC1RAB9AMAPTADORA3ADORA1
SCHEMBL14794097 0.77 CHRM4 (0.47) ADORA3ADORA1ADORA2ATSHRCYP2C9
SCHEMBL14786068 0.77 ADORA3 (0.41) NPC1RAB9AMAPTADORA3ADORA1
SCHEMBL14786073 0.76 NPC1 (0.46) NPC1RAB9AMAPTADORA3ADORA1
SCHEMBL14794554 0.75 KDM4E (0.37) NPC1MAPTSMN1; SMN2CYP2C9
SCHEMBL16273207 0.74 MAPT (0.51) NPC1RAB9AMAPTGAATP53
SCHEMBL14296844 0.74 AURKB (0.45) NPC1RAB9AMAPTADORA3ADORA1
SCHEMBL14794538 0.72 LMNA (0.51) NPC1RAB9AMAPTGAATP53

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 NPC1 3089/4885RAB9A 3068/4885MAPT 820/4885

“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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