SCHEMBL13726403

SCHEMBL13726403

Cc1cccc(C2NCc3c(Cl)cccc3-n3cccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 7/20 0.38
▸ KMT2A Q03164 7/20 0.38
▸ ATM Q13315 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ PTPN1 P18031 3/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTPN2 P17706 1/20 0.33

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
SCHEMBL13725754 0.82 L3MBTL1 (0.45) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL16667337 0.79 L3MBTL1 (0.46) L3MBTL1LMNAHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL15465080 0.78 L3MBTL1 (0.46) L3MBTL1LMNAHSD17B10MEN1KMT2A
Bromide SCHEMBL15465486 0.78 L3MBTL1 (0.39) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL13726427 0.77 L3MBTL1 (0.49) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL13726963 0.77 L3MBTL1 (0.38) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL13728460 0.76 MEN1 (0.42) L3MBTL1LMNAHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL15465686 0.76 LMNA (0.39) L3MBTL1LMNAHSD17B10MEN1KMT2A
Bromide SCHEMBL15466167 0.76 L3MBTL1 (0.48) L3MBTL1LMNAHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL15464669 0.76 MEN1 (0.43) L3MBTL1LMNAHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674226-B Antifungal compounds substituted with heterocyclic derivatives 詹森药业有限公司 2020-05-26 — — CN disclosed
US-9975899-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-05-22 — — US disclosed
US-20170073348-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-16 — — US disclosed
US-9493468-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-11-15 — — US disclosed
EP-2707370-B1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-04-29 — — EP disclosed
EP-2707370-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2014-03-19 — — EP disclosed
US-20140045827-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-02-13 — — US disclosed
WO-2012150305-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO- DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2012-11-08 — — 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-20170073348-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES GABBR1, HRH4, CYP1B1 L3MBTL1 4609/4885LMNA 4514/4885HSD17B10 775/4885
US-20140045827-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES GABBR1, HRH4, CYP1B1 L3MBTL1 4609/4885LMNA 4514/4885HSD17B10 775/4885

“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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