SCHEMBL1363679

SCHEMBL1363679

Nc1cccc(-c2ccnc3[nH]cc(C(=O)c4cccc(O)c4)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.51
PRKCI P41743 1/20 0.45
CDC7 O00311 1/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
NTRK1 P04629 1/20 0.40
PIK3CA P42336 1/20 0.40
DYRK1A Q13627 1/20 0.40
KIT P10721 1/20 0.40
PLK1 P53350 1/20 0.39
FYN P06241 3/20 0.39
BTK Q06187 1/20 0.37
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
EGFR P00533 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
NEK2 P51955 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
SCHEMBL16199544 0.88 PRKCI (0.44) LRRK2PRKCINTRK1PIK3CADYRK1A
SCHEMBL1363467 0.86 LRRK2 (0.55) LRRK2PRKCINTRK1DYRK1AKIT
SCHEMBL857026 0.85 LRRK2 (0.46) LRRK2PRKCICDC7JAK2JAK3
SCHEMBL857005 0.84 LRRK2 (0.47) LRRK2PRKCICDC7JAK2JAK3
SCHEMBL10293128 0.84 LRRK2 (0.47) LRRK2JAK3NTRK1KITPLK1
SCHEMBL856956 0.82 BTK (0.48) LRRK2BTK
SCHEMBL856928 0.81 LRRK2 (0.43) LRRK2PRKCIJAK2JAK3NTRK1
SCHEMBL13115956 0.81 HSD17B1 (0.47) LRRK2JAK2JAK3FYNBTK
SCHEMBL857272 0.80 LRRK2 (0.43) LRRK2PRKCICDC7NTRK1PIK3CA
SCHEMBL856963 0.79 FYN (0.45) LRRK2CDC7JAK2JAK3NTRK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696920-B1 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2014-10-29 EP disclosed
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US disclosed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US disclosed
EP-1696920-A4 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2009-09-02 EP disclosed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 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
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 (3 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 LRRK2 96/4885PRKCI 1580/4885CDC7 1029/4885
US-20070066641-A1 Compounds and methods for development of RET modulators RET, FGFR1, FGFR3 LRRK2 75/4885PRKCI 1690/4885CDC7 981/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 LRRK2 58/4885PRKCI 1792/4885CDC7 1345/4885

“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.