SCHEMBL11939636

SCHEMBL11939636

COc1ccccc1Nc1cc(-c2ccc(O)cc2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.56
TP53 P04637 3/20 0.52
MAPT P10636 2/20 0.52
BACE1 P56817 1/20 0.52
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 6/20 0.48
CLK4 Q9HAZ1 6/20 0.48
CYP2D6 P10635 5/20 0.48
CYP2C19 P33261 5/20 0.48
USP2 O75604 3/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 1/20 0.48
CYP3A4 P08684 5/20 0.47
TNNI3K Q59H18 1/20 0.47
EGFR P00533 2/20 0.46

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
SCHEMBL14134469 0.88 MAPK10 (0.57) MAPK10TP53MAPTBACE1ALDH1A1
SCHEMBL13300993 0.87 ALOX5 (0.56) MAPK10TP53MAPTBACE1ALDH1A1
SCHEMBL13300992 0.85 MAPK8 (0.62) MAPK10TP53MAPTBACE1ALDH1A1
SCHEMBL11939486 0.85 CYP1A2 (0.54) MAPK10BACE1GAACYP1A2CLK4
SCHEMBL11940598 0.84 CYP1A2 (0.53) MAPK10TP53MAPTBACE1ALDH1A1
SCHEMBL12287830 0.84 TRPV1 (0.57) MAPK10TP53MAPTBACE1TRPV1
SCHEMBL13300989 0.83 CYP1A2 (0.50) MAPK10BACE1CYP1A2CLK4CYP2D6
SCHEMBL12290717 0.83 BRAF (0.55) MAPK10MAPTBACE1ALDH1A1CYP1A2
SCHEMBL12340032 0.82 MAPT (0.62) MAPK10MAPTBACE1ALDH1A1NPC1
SCHEMBL11939655 0.81 MAPK10 (0.49) MAPK10TP53MAPTBACE1ALDH1A1

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 12 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-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
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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 US disclosed
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 US disclosed
WO-2008079460-A2 TYROSINE KINASE INHIBITORS FOR PREVENTION OR TREATMENT OF INFECTION EMORY UNIVERSITY (US) 2008-07-03 WO disclosed
WO-2008030795-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARDS 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 MAPK10 167/4885TP53 853/4885MAPT 3703/4885
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES ABL1, LCK, SRC MAPK10 367/4885TP53 134/4885MAPT 2881/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 MAPK10 167/4885TP53 853/4885MAPT 3703/4885

“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.