SCHEMBL2013280

SCHEMBL2013280

Cn1c(N)nc2[c]cccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.41
NTRK1 P04629 1/20 0.41
LTK P29376 1/20 0.41
TYRO3 Q06418 1/20 0.41
NTRK2 Q16620 1/20 0.41
KDM4E B2RXH2 2/20 0.35
PRMT5 O14744 1/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTB4R Q15722 1/20 0.33
TLR8 Q9NR97 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3282756 0.80 MAPT (0.39) KDM4EPOLBNPC1ALDH1A1GAA
SCHEMBL7014694 0.79 KDM4E (0.42) KDM4ENPC1ALDH1A1TP53GAA
SCHEMBL12505433 0.75 KLK5 (0.35) CLK4KDM4EALDH1A1HSD17B10HTT
Hydrochloric Acid SCHEMBL15093740 0.74 KLK5 (0.34) CLK4KDM4EALDH1A1HSD17B10HTT
SCHEMBL5547790 0.69 BRD4 (0.39) CLK4KDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL30621933 0.68 SMN1; SMN2 (0.61) KDM4EPRMT5POLBNPC1ALDH1A1
SCHEMBL149707 0.68 SMN1; SMN2 (0.61) KDM4EPRMT5POLBNPC1ALDH1A1
SCHEMBL1823973 0.67 GRM5 (0.34) KDM4ENPC1ALDH1A1TP53GAA
Iodide SCHEMBL336131 0.67 SMN1; SMN2 (0.59) KDM4EPRMT5POLBNPC1ALDH1A1
Iodide SCHEMBL336130 0.67 SMN1; SMN2 (0.59) KDM4EPRMT5POLBNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US claimed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US claimed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP claimed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US claimed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO claimed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 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 (2 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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CLK4 1571/4885NTRK1 610/4885LTK 138/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CLK4 1571/4885NTRK1 610/4885LTK 138/4885

“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.