SCHEMBL857642

SCHEMBL857642

O=C(c1cccc(O)c1)c1c[nH]c2ncc(-c3ccsc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.62
AAK1 Q2M2I8 2/20 0.56
CDK8 P49336 1/20 0.51
PAK1 Q13153 2/20 0.47
CDK2 P24941 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK9 P50750 1/20 0.45
BRD4 O60885 1/20 0.45
MAPK1 P28482 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
MAPK13 O15264 1/20 0.43
PDPK1 O15530 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43
PRKD3 O94806 1/20 0.43

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
SCHEMBL857546 0.89 AXL (0.62) AXLAAK1CDK8PAK1CDK2
SCHEMBL858560 0.89 AXL (0.67) AXLAAK1CDK8PAK1CDK2
SCHEMBL857422 0.86 AXL (0.61) AXLAAK1CDK8PAK1CDK2
SCHEMBL857793 0.85 AXL (0.67) AXLAAK1CDK8DYRK3ROCK2
SCHEMBL857771 0.84 AAK1 (0.48) AXLAAK1CDK8PAK1CDK2
SCHEMBL857618 0.83 AAK1 (0.52) AXLAAK1PAK1CDK2BRD4
SCHEMBL857604 0.83 NEK1 (0.57) AXLAAK1BRD4NTRK1DYRK1A
SCHEMBL856998 0.83 KIT (0.57) AXLAAK1CDK2MAPK1CDC7
SCHEMBL858627 0.83 AAK1 (0.56) AXLAAK1PAK1CDK2MAPK1
SCHEMBL857149 0.82 AXL (0.65) AXLAAK1CDK8PAK1CDK2

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-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US claimed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US claimed
CN-1925855-B Compounds and methods for development of Ret modulators PLEXXIKON INC 2010-06-16 CN claimed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US claimed
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
EP-1696920-B1 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2014-10-29 EP disclosed
EP-1696920-B1 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2014-10-29 EP disclosed
US-20070066641-A1 Compounds and methods for development of RET modulators PLEXXIKON, INC. 2007-03-22 US disclosed
US-20070066641-A1 Compounds and methods for development of RET modulators PLEXXIKON, INC. 2007-03-22 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
EP-1696920-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2006-09-06 EP disclosed
WO-2005062795-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2005-07-14 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 (6 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-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 AXL 38/4885AAK1 2341/4885CDK8 1633/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 AXL 1354/4885AAK1 335/4885CDK8 56/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 AXL 1354/4885AAK1 335/4885CDK8 56/4885
US-20070066641-A1 Compounds and methods for development of RET modulators RET, FGFR1, FGFR3 AXL 21/4885AAK1 1435/4885CDK8 854/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 AXL 1354/4885AAK1 335/4885CDK8 56/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 AXL 73/4885AAK1 2699/4885CDK8 2155/4885

“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.