SCHEMBL14716756

SCHEMBL14716756

Cc1cc(-c2ccncc2C#N)[nH]c(=O)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
GAA P10253 3/20 0.53
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
HPGD P15428 2/20 0.45
BLM P54132 2/20 0.45
PDE5A O76074 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM5A P29375 1/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
PIM1 P11309 4/20 0.40
KDR P35968 2/20 0.40

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
SCHEMBL9276923 0.80 KDM4E (0.53) KDM4EGAAPDE3BPDE3APDE4A
SCHEMBL2591224 0.79 KDM4E (0.73) KDM4EGAAPDE3BPDE3APDE4A
SCHEMBL8402665 0.77 KDM4E (0.70) KDM4EGAAPDE4APDE4BPDE4C
SCHEMBL5519641 0.74 PDE3A (0.70) KDM4EGAAPDE3BPDE3APDE4A
SCHEMBL17371920 0.70 BUB1 (0.43) KDM4EALDH1A1POLB
SCHEMBL3035334 0.70 KDM4E (1.00) KDM4EGAAHPGDBLMCYP2C19
SCHEMBL31133690 0.69 HTT (0.48) CYP2C19CDK8ALDH1A1MEN1KMT2A
SCHEMBL3566704 0.68 KDM4E (0.73) KDM4EGAAHPGDBLMLMNA
SCHEMBL1694465 0.66 KDM4E (0.62) KDM4EGAAHPGDLMNAATM
SCHEMBL211613 0.66

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 US disclosed
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2018-07-26 US disclosed
US-9956210-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2017-04-06 US disclosed
US-9562041-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2017-02-07 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 EP disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-20140256739-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2014-09-11 US disclosed
EP-2773754-A1 METHOD OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-09-10 EP disclosed
US-8765792-B2 Indoles GLAXOSMITHKLINE LLC (US) 2014-07-01 US disclosed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067300-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 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 (9 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-20130245016-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885GAA 3880/4885PDE3B 1868/4885
US-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KDM4E 2573/4885GAA 1575/4885PDE3B 1430/4885
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 KDM4E 43/4885GAA 1965/4885PDE3B 4215/4885
US-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 KDM4E 130/4885GAA 2331/4885PDE3B 4228/4885
US-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 KDM4E 43/4885GAA 1965/4885PDE3B 4215/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 KDM4E 43/4885GAA 1965/4885PDE3B 4215/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885GAA 3880/4885PDE3B 1868/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885GAA 3907/4885PDE3B 1887/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885GAA 3880/4885PDE3B 1868/4885

“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.