SCHEMBL857501

SCHEMBL857501

COc1cccc(C(=O)c2c[nH]c3nccc(-c4cc(F)cc(F)c4)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.52
LRRK2 Q5S007 2/20 0.51
CYP2C8 P10632 1/20 0.43
VNN1 O95497 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 2/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
CDK1 P06493 1/20 0.41
FGFR1 P11362 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MARK3 P27448 1/20 0.41
AXL P30530 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL857048 0.87 CYP3A4 (0.44) BTKLRRK2CYP3A4CYP2C9ROCK2
SCHEMBL859098 0.87 LRRK2 (0.54) BTKLRRK2DYRK3ROCK2PRKD3
SCHEMBL858550 0.86 BTK (0.52) BTKLRRK2CYP2C8CYP3A4RAB9A
SCHEMBL858439 0.86 BTK (0.52) BTKLRRK2CYP2C8DYRK3ROCK2
SCHEMBL858237 0.86 LRRK2 (0.56) BTKLRRK2CYP2C8RAB9ADYRK3
SCHEMBL857005 0.85 LRRK2 (0.47) BTKLRRK2CYP3A4CYP2C9ROCK2
SCHEMBL856849 0.85 BTK (0.53) BTKLRRK2CYP2C8DYRK3ROCK2
SCHEMBL1363467 0.85 LRRK2 (0.55) BTKLRRK2CYP2C8RAB9ADYRK3
SCHEMBL1364100 0.85 AXL (0.45) BTKLRRK2CYP3A4MAP4K4AXL
SCHEMBL858009 0.84 SIK1 (0.58) BTKLRRK2CYP2C8DYRK3ROCK2

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-7872016-B2 Method for treating skeletal disorders resulting from FGFR malfunction YALE UNIVERSITY (US) 2011-01-18 US claimed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US claimed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US claimed
US-20250382583-A1 ENHANCED METHODS FOR INDUCING AND MAINTAINING NAIVE HUMAN PLURIPOTENT STEM CELLS WASHINGTON UNIVERSITY ST LOUIS (US) 2025-12-18 US disclosed
US-12371667-B2 Enhanced methods for inducing and maintaining naive human pluripotent stem cells WASHINGTON UNIVERSITY (US) 2025-07-29 US disclosed
US-20220364060-A1 ENHANCED METHODS FOR INDUCING AND MAINTAINING NAIVE HUMAN PLURIPOTENT STEM CELLS WASHINGTON UNIVERSITY 2022-11-17 US disclosed
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-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-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
WO-2005115363-A2 METHOD FOR TREATING SKELETAL DISORDERS RESULTING FROM FGFR MALFUNCTION YALE UNIVERSITY (US) 2005-12-08 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 BTK 1809/4885LRRK2 96/4885CYP2C8 4493/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BTK 81/4885LRRK2 491/4885CYP2C8 3558/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BTK 81/4885LRRK2 491/4885CYP2C8 3558/4885
US-20070066641-A1 Compounds and methods for development of RET modulators RET, FGFR1, FGFR3 BTK 352/4885LRRK2 75/4885CYP2C8 3764/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BTK 81/4885LRRK2 491/4885CYP2C8 3558/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 BTK 2297/4885LRRK2 58/4885CYP2C8 4734/4885

“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.