SCHEMBL3330856

SCHEMBL3330856

COc1cc(C(=O)Nc2cccc(-c3ccc(Cl)nn3)c2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
CLK1 P49759 1/20 0.60
GAA P10253 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GLA P06280 1/20 0.57
HTT P42858 1/20 0.57
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMO Q99835 3/20 0.53
POLB P06746 1/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL3333239 0.89 NPC1 (0.66) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL14134365 0.89 NPC1 (0.51) SMN1; SMN2CLK1GAAKDM4EALDH1A1
SCHEMBL12343770 0.88 SMN1; SMN2 (0.64) SMN1; SMN2CLK1GAAKDM4EALDH1A1
SCHEMBL14134378 0.79 NPC1 (0.64) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL3331931 0.78 SMN1; SMN2 (0.82) SMN1; SMN2CLK1GAAKDM4EALDH1A1
SCHEMBL10389628 0.77 BRAF (0.55) SMN1; SMN2GAAKDM4EALDH1A1RAB9A
SCHEMBL12344016 0.77 NPC1 (0.67) SMN1; SMN2CLK1KDM4EALDH1A1HTT
SCHEMBL2624788 0.76 ABCB1 (0.71) SMN1; SMN2CLK1GAAKDM4EALDH1A1
SCHEMBL3333917 0.76 SMN1; SMN2 (0.58) SMN1; SMN2CLK1GAAKDM4EALDH1A1
SCHEMBL14139837 0.76 SMN1; SMN2 (0.55) SMN1; SMN2CLK1GAAKDM4EALDH1A1

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-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
EP-2471529-A2 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof Emory University (US) 2012-07-04 EP disclosed
EP-2364702-A2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof Emory University (US) 2011-09-14 EP disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
WO-2008030744-A2 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-13 WO disclosed
WO-2008030744-A2 INHIBITORS OF C-MET AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-13 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 SMN1; SMN2 4310/4885CLK1 252/4885GAA 2254/4885
US-20100144738-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, HGFAC SMN1; SMN2 4353/4885CLK1 2511/4885GAA 2319/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 SMN1; SMN2 4310/4885CLK1 252/4885GAA 2254/4885

“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.