SCHEMBL11939655

SCHEMBL11939655

COC(=O)c1ccc(-c2cc(Nc3ccccc3OC)ncn2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.49
BACE1 P56817 1/20 0.47
CCNT1 O60563 3/20 0.46
CDK9 P50750 3/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
USP2 O75604 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2D6 P10635 3/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK8 P45983 2/20 0.46
PIK3CG P48736 2/20 0.46
CAMKK2 Q96RR4 2/20 0.46
GSK3B P49841 1/20 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
SCHEMBL12290585 0.83 TNNI3K (0.58) BACE1CCNT1CDK9TP53MAPK1
SCHEMBL13300992 0.82 MAPK8 (0.62) MAPK10BACE1ALDH1A1CYP1A2CLK4
SCHEMBL11939486 0.82 CYP1A2 (0.54) MAPK10BACE1CCNT1CDK9CYP1A2
SCHEMBL11939636 0.81 MAPK10 (0.56) MAPK10BACE1CCNT1CDK9ALDH1A1
SCHEMBL11940598 0.81 CYP1A2 (0.53) MAPK10BACE1ALDH1A1CYP1A2CLK4
SCHEMBL12290717 0.80 BRAF (0.55) MAPK10BACE1CCNT1CDK9ALDH1A1
SCHEMBL13300989 0.80 CYP1A2 (0.50) MAPK10BACE1CCNT1CDK9CYP1A2
SCHEMBL14134469 0.80 MAPK10 (0.57) MAPK10BACE1CCNT1CDK9ALDH1A1
SCHEMBL12288536 0.80 MAPT (0.60) MAPK10BACE1CYP1A2CLK4USP2
SCHEMBL4103792 0.79 CYP1A2 (0.56) CCNT1CDK9ALDH1A1CYP1A2CLK4

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 11 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-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 167/4885BACE1 3392/4885CCNT1 1891/4885
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES ABL1, LCK, SRC MAPK10 367/4885BACE1 4302/4885CCNT1 604/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 MAPK10 167/4885BACE1 3392/4885CCNT1 1891/4885

“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.