SCHEMBL2583906

SCHEMBL2583906

Cc1cc(-c2ccncc2)c(C#N)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
PDE3B Q13370 5/20 0.57
PDE3A Q14432 5/20 0.57
HPGD P15428 5/20 0.57
PDE5A O76074 1/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
PTGS1 P23219 1/20 0.57
PDE4A P27815 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.49
GLA P06280 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
AURKB Q96GD4 1/20 0.47

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
SCHEMBL6193017 0.84 ATM (0.69) KDM4EHPGDBLMATMALDH1A1
SCHEMBL14699182 0.83 MET (0.56) KDM4EHPGDTSHRPDE4APDE4B
SCHEMBL9276923 0.80 KDM4E (0.53) KDM4EPDE3BPDE3AHPGDPDE5A
SCHEMBL14339670 0.79 KDM4E (0.52) KDM4EHPGDBLMATMALDH1A1
SCHEMBL2820504 0.77 KDR (0.55) KDM4EHPGDATMALDH1A1GLA
SCHEMBL2591224 0.76 KDM4E (0.73) KDM4EPDE3BPDE3AHPGDPDE5A
Hydrochloric Acid SCHEMBL29827689 0.74 KDM4E (0.50) KDM4EHPGDLMNAPDE4DATM
SCHEMBL28602629 0.74 KDM4E (0.72) KDM4EHPGDLMNATSHRCYP2C19
SCHEMBL2203770 0.73 MEN1 (0.56) KDM4EATMALDH1A1GLAGAA
SCHEMBL2203345 0.73 PIM1 (0.62) ATMPIM1BIRC5

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 78 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-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-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
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
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-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (4 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-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KDM4E 2573/4885PDE3B 1430/4885PDE3A 1639/4885
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 KDM4E 43/4885PDE3B 4215/4885PDE3A 4305/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 KDM4E 43/4885PDE3B 4215/4885PDE3A 4305/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885PDE3B 1887/4885PDE3A 2267/4885

“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.