SCHEMBL1542487

SCHEMBL1542487

N#CC1(c2cc(Br)cc(Br)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.41
OPRM1 P35372 3/20 0.34

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
SCHEMBL19950462 0.86 WDR5 (0.37) WDR5OPRM1
SCHEMBL15459020 0.86 OPRM1 (0.40) WDR5OPRM1
SCHEMBL23802062 0.82 WDR5 (0.38) WDR5OPRM1
SCHEMBL2674905 0.82 WDR5 (0.38) WDR5
SCHEMBL31646560 0.80 WDR5 (0.49) WDR5
SCHEMBL3206919 0.79 KMT2A (0.45) WDR5OPRM1
SCHEMBL25347409 0.79 WDR5 (0.40) WDR5
SCHEMBL19031018 0.79 WDR5 (0.40) WDR5OPRM1
SCHEMBL1502809 0.78 CYP11B2 (0.39) WDR5OPRM1
SCHEMBL2300 0.77 OPRM1 (0.46) WDR5OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024217523-A1 SELECTIVE TKY2 INHIBITORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-10-24 WO disclosed
US-11306084-B2 Integrin antagonists SAINT LOUIS UNIVERSITY (US) 2022-04-19 US disclosed
US-20190345155-A1 INTEGRIN ANTAGONISTS Indalo Therapeutics, Inc. 2019-11-14 US disclosed
US-20190345155-A1 INTEGRIN ANTAGONISTS Indalo Therapeutics, Inc. 2019-11-14 US disclosed
EP-3562826-A1 INTEGRIN ANTAGONISTS Saint Louis University (US) 2019-11-06 EP disclosed
CN-110177787-A Integrin antagonists 圣路易斯大学 2019-08-27 CN disclosed
WO-2018132268-A1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2018-07-19 WO disclosed
EP-2875021-B1 BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS UNIV SAINT LOUIS (US) 2017-08-23 EP disclosed
EP-2875021-B1 BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS UNIV SAINT LOUIS (US) 2017-08-23 EP disclosed
US-9085606-B2 Beta amino acid derivatives as integrin antagonists SAINT LOUIS UNIVERSITY (US) 2015-07-21 US disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
CN-102099335-A Heterocyclic antiviral compounds HOFFMANN LA ROCHE 2011-06-15 CN disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
EP-2215089-A1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA Vertex Pharmaceuticals Incorporated (US) 2010-08-11 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
WO-2009073300-A1 [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 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 (5 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-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 WDR5 2731/4885OPRM1 4289/4885
US-20190345155-A1 INTEGRIN ANTAGONISTS ITGA5, ITGB5, ITGB2 WDR5 4049/4885OPRM1 549/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 WDR5 2731/4885OPRM1 4289/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B WDR5 1560/4885OPRM1 1051/4885
US-11306084-B2 Integrin antagonists ITGA5, ITGB5, ITGB2 WDR5 4049/4885OPRM1 549/4885

“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.