SCHEMBL2898166

SCHEMBL2898166

O=c1cc2c(=O)[nH]ccn2c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
GRIA1 P42261 1/20 0.32
CRBN Q96SW2 2/20 0.31

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
SCHEMBL4751214 0.68 PARP1 (0.41) BRD4
SCHEMBL6918951 0.67 TNKS2 (0.39) CRBN
SCHEMBL7006748 0.65 BRD4 (0.45) BRD4
SCHEMBL7002739 0.65 GRIA1 (0.39) BRD4GRIA1
SCHEMBL7005550 0.65 CHEK1 (0.45) BRD4
SCHEMBL25014511 0.65 BRD4 (0.41) BRD4
SCHEMBL14913653 0.65 BRD4 (0.41) BRD4
SCHEMBL6920800 0.63 JAK2 (0.43) BRD4
SCHEMBL15392110 0.63 PARP1 (0.39) BRD4
SCHEMBL24374828 0.62 BRD4 (0.40) BRD4GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP claimed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-10-06 WO claimed
EP-3110802-A1 ETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-01-04 EP disclosed
WO-2015128307-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-03 WO disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-10-06 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 (1 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-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP BRD4 416/4885GRIA1 3771/4885CRBN 3872/4885

“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.