SCHEMBL858484

SCHEMBL858484

c1ccc(Sc2c[nH]c3ncccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57
TUBB6 Q9BUF5 1/20 0.57
TUBB2B Q9BVA1 1/20 0.57
TUBB1 Q9H4B7 1/20 0.57
MET P08581 2/20 0.50
AXL P30530 1/20 0.50
GPR84 Q9NQS5 2/20 0.49
LRRK2 Q5S007 1/20 0.46
KMT2A Q03164 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
SCHEMBL857324 0.89 AXL (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3885714 0.86 CDC7 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22802293 0.86 AXL (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29286701 0.86 AXL (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7712274 0.86 RHEB (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29286702 0.82 IDO1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL856966 0.82 AXL (0.49) METAXLGPR84LRRK2KMT2A
SCHEMBL28061033 0.79 IDO1 (0.56) MAP2K1DRD4
SCHEMBL11612594 0.77 AXL (0.55) METAXLGPR84LRRK2KMT2A
SCHEMBL22330299 0.77 AXL (0.55) METAXLGPR84LRRK2KMT2A

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-7057039-B2 1-heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-06 US disclosed
CN-1668620-A 1-heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2005-09-14 CN disclosed
EP-1551840-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-07-13 EP disclosed
US-20050085481-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-04-21 US disclosed
EP-1509522-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth, A Corporation of the State of Delaware (US) 2005-03-02 EP disclosed
US-6825212-B2 SEROTONINE RECEPTORS ANTAGONIST; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-30 US disclosed
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 US disclosed
WO-2004009600-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-01-29 WO disclosed
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-25 US disclosed
WO-2003101990-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-12-11 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 (7 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-20050085481-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR1A TUBB4A 1164/4885TUBB 805/4885TUBA3C 662/4885
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR3B TUBB4A 1205/4885TUBB 841/4885TUBA3C 731/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TUBB4A 1759/4885TUBB 1155/4885TUBA3C 2762/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TUBB4A 1759/4885TUBB 1155/4885TUBA3C 2762/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TUBB4A 1759/4885TUBB 1155/4885TUBA3C 2762/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TUBB4A 1759/4885TUBB 1155/4885TUBA3C 2762/4885
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR5A TUBB4A 2087/4885TUBB 1523/4885TUBA3C 1152/4885

“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.