SCHEMBL14725134

SCHEMBL14725134

COc1ccc(CNC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 1.00
MAX P61244 1/20 1.00
KDM4E B2RXH2 10/20 0.68
ALDH1A1 P00352 9/20 0.68
MAPT P10636 7/20 0.68
GAA P10253 3/20 0.68
HPGD P15428 5/20 0.68
CASP1 P29466 3/20 0.68
CASP7 P55210 3/20 0.68
HSD17B10 Q99714 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 3/20 0.63
APOBEC3A P31941 1/20 0.62
HTT P42858 1/20 0.62
USP2 O75604 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
ESR1 P03372 1/20 0.58

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
SCHEMBL1718423 0.89 MYC (0.81) MYCMAXKDM4EALDH1A1MAPT
SCHEMBL1718904 0.86 MYC (0.75) MYCMAXKDM4EALDH1A1MAPT
SCHEMBL30612821 0.85 ALDH1A1 (0.79) MYCMAXKDM4EALDH1A1MAPT
SCHEMBL1718635 0.84 ALDH1A1 (0.75) MYCMAXKDM4EALDH1A1MAPT
SCHEMBL1718428 0.84 MYC (0.72) MYCMAXKDM4EALDH1A1MAPT
SCHEMBL1718140 0.83 KDM4E (0.77) MYCMAXKDM4EALDH1A1MAPT
SCHEMBL1718655 0.83 ALDH1A1 (0.71) MYCMAXKDM4EALDH1A1MAPT
SCHEMBL14014121 0.82 KDM4E (0.78) MYCMAXKDM4EALDH1A1MAPT
SCHEMBL1718669 0.82 KDM4E (0.75) MYCMAXKDM4EALDH1A1MAPT
SCHEMBL1718546 0.82 MAPT (0.72) MYCMAXKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190085404-A1 METHODS OF IDENTIFYING AND TREATING IMMUNE CHECKPOINT INHIBITOR-RESPONSIVE NEOPLASMS AND CELLS, TRANSGENIC ANIMALS AND KITS FOR USE THEREIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-03-21 US disclosed
US-20160237490-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2016-08-18 US disclosed
US-20160237490-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2016-08-18 US disclosed
US-9181580-B2 Super-enhancers and methods of use thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-11-10 US disclosed
US-9181580-B2 Super-enhancers and methods of use thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-11-10 US disclosed
US-9155724-B2 Combination methods for treatment of disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-10-13 US disclosed
US-9155724-B2 Combination methods for treatment of disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-10-13 US disclosed
US-20150111761-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2015-04-23 US disclosed
US-20150111761-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2015-04-23 US disclosed
US-20140296218-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-10-02 US disclosed
US-20140296218-A1 SUPER-ENHANCERS AND METHODS OF USE THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-10-02 US disclosed
US-20130053415-A1 COMBINATION METHODS FOR TREATMENT OF DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-02-28 US disclosed
US-20130053415-A1 COMBINATION METHODS FOR TREATMENT OF DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-02-28 US 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 (1 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-20130053415-A1 COMBINATION METHODS FOR TREATMENT OF DISEASE NFATC1, IRF3, BCOR MYC 81/4885MAX 4342/4885KDM4E 2087/4885

“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.