SCHEMBL14727014

SCHEMBL14727014

Cc1cc(Br)c2ccn(C(C)C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
EZH2 Q15910 1/20 0.30

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
SCHEMBL2594741 0.77 DDR1 (0.34)
SCHEMBL21438892 0.77 SLC6A2 (0.32) EZH2
SCHEMBL21438922 0.76 HCAR3 (0.41) P2RX3P2RX2
SCHEMBL12752155 0.75 PGR (0.39)
SCHEMBL850473 0.74 SLC6A2 (0.44) EZH2
SCHEMBL14727054 0.73 EZH2 (0.40) P2RX3P2RX2EZH2
SCHEMBL21439335 0.72 NOTUM (0.40) P2RX3P2RX2
SCHEMBL28487278 0.71
SCHEMBL35211219 0.70 HTR2A (0.33)
SCHEMBL20906148 0.69 NOTUM (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021018194-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-02-04 WO 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-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US disclosed
US-20160074394-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2016-03-17 US disclosed
US-9242962-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-01-26 US disclosed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US disclosed
US-9114141-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-08-25 US disclosed
US-20150141436-A1 INDOLES KIDS2, INC. 2015-05-21 US disclosed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US disclosed
US-20140256739-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2014-09-11 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 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 (6 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-20160074394-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 P2RX3 4110/4885P2RX2 3991/4885EZH2 2/4885
US-20150141436-A1 INDOLES IDO1, IDO2, INMT P2RX3 4606/4885P2RX2 4559/4885EZH2 257/4885
US-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 P2RX3 4110/4885P2RX2 3991/4885EZH2 2/4885
US-20150313887-A1 INDOLES IDO1, IDO2, INMT P2RX3 4606/4885P2RX2 4559/4885EZH2 257/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT P2RX3 4584/4885P2RX2 4563/4885EZH2 239/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT P2RX3 4606/4885P2RX2 4559/4885EZH2 257/4885

“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.