SCHEMBL10046644

SCHEMBL10046644

Cc1ccc2c(c1)c1cc3c(cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)-c1ccccc1C3(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ADORA3 P0DMS8 3/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MAPT P10636 4/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ PDK2 Q15119 1/20 0.32

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
SCHEMBL17985339 0.96 MEN1 (0.33) MEN1KMT2AADORA3NR1I2AHR
SCHEMBL10046645 0.94 ADORA3 (0.34) MEN1KMT2AADORA3NR1I2L3MBTL1
SCHEMBL2603567 0.92 L3MBTL1 (0.35) MEN1KMT2AADORA3L3MBTL1MAPT
SCHEMBL2603603 0.90 MEN1 (0.33) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL31853 0.90 L3MBTL1 (0.32) MEN1KMT2AL3MBTL1MAPTABCG2
SCHEMBL2603595 0.89 HTT (0.34) MEN1KMT2AL3MBTL1MAPTABCG2
SCHEMBL24216248 0.88 MEN1 (0.33) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL15625659 0.88 MEN1 (0.33) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL2603576 0.88 ABCG2 (0.30) ABCG2
SCHEMBL25517460 0.88 L3MBTL1 (0.32) MEN1KMT2AL3MBTL1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 — — US disclosed
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 — — US disclosed
US-20190280218-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2019-09-12 — — US disclosed
US-10374170-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2019-08-06 — — US disclosed
EP-2673249-B1 SUBSTITUTED DIBENZONAPHTHACENE MERCK PATENT GMBH (DE) 2019-04-03 — — EP disclosed
EP-2651862-B1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
US-9598637-B2 Phosphorus-containing metal complexes MERCK PATENT GMBH (DE) 2017-03-21 — — US disclosed
US-9598637-B2 Phosphorus-containing metal complexes MERCK PATENT GMBH (DE) 2017-03-21 — — US disclosed
EP-3121183-A1 METALS CONTAINING ORGANIC COMPLEXES Merck Patent GmbH (DE) 2017-01-25 — — EP disclosed
EP-2896627-B1 Metals containing organic complexes MERCK PATENT GMBH (DE) 2016-12-21 — — EP disclosed
US-20130261708-A1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2013-10-03 — — US disclosed
US-20130261708-A1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2013-10-03 — — US disclosed
US-20130253617-A1 PHOSPHORUS-CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-09-26 — — US disclosed
US-20130253617-A1 PHOSPHORUS-CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-09-26 — — US disclosed
US-20130116755-A1 METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS MERCK PATENT GMBH (DE) 2013-05-09 — — US disclosed
US-20130116755-A1 METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS MERCK PATENT GMBH (DE) 2013-05-09 — — US disclosed
WO-2012107163-A1 SUBSTITUTED DIBENZONAPHTHACENE MERCK PATENT GMBH (DE) 2012-08-16 — — WO disclosed
WO-2012079678-A1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2012-06-21 — — WO disclosed
WO-2012038029-A1 PHOSPHORUS-CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-03-29 — — WO disclosed
WO-2012007103-A1 METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS MERCK PATENT GMBH (DE) 2012-01-19 — — 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 (3 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-11917913-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 MEN1 2568/4885KMT2A 1267/4885ADORA3 1540/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 MEN1 2568/4885KMT2A 1267/4885ADORA3 1540/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 MEN1 2568/4885KMT2A 1267/4885ADORA3 1540/4885

“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.

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