SCHEMBL2594697

SCHEMBL2594697

COC(=O)c1cc(Cl)cc2c1cnn2C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP11B2 P19099 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
EZH2 Q15910 3/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
ACLY P53396 1/20 0.37
KMO O15229 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
SERPINH1 P50454 1/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
RBBP7 Q16576 1/20 0.36
ABL1 P00519 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2595321 0.85 KDM4E (0.53) PDE1APDE1BPDE1CKDM4EEZH2
SCHEMBL31474829 0.84 EZH2 (0.48) PDE1APDE1BPDE1CKDM4ECYP11B2
SCHEMBL2594144 0.84 EZH2 (0.40) PDE1APDE1BPDE1CKDM4ECYP11B2
SCHEMBL12180709 0.84 KDM4E (0.39) PDE1APDE1BPDE1CKDM4ECYP11B2
SCHEMBL2588056 0.84 EZH2 (0.48) PDE1APDE1BPDE1CKDM4ECYP11B2
SCHEMBL2594991 0.82 PDE1A (0.37) PDE1APDE1BPDE1CKDM4ECYP11B2
SCHEMBL2594905 0.80 CREBBP (0.43) KDM4ECYP11B2EZH2KMT2A
SCHEMBL15491013 0.80 CREBBP (0.42) KDM4ECYP11B2SERPINH1ABL1KMT2A
SCHEMBL15687571 0.78 CYP11B2 (0.56) KDM4ECYP11B2EZH2IRAK4KMT2A
SCHEMBL2593480 0.78 IRAK4 (0.41) EZH2P2RX3P2RX2IRAK4EED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES 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
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140325-A1 INDAZOLES 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 (2 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 PDE1A 4832/4885PDE1B 4782/4885PDE1C 4879/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B PDE1A 4832/4885PDE1B 4782/4885PDE1C 4879/4885

“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.