SCHEMBL13727113

SCHEMBL13727113

c1ccc2c(c1)CNC(c1cc3ccccc3s1)c1cccn1-2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MEN1 O00255 9/20 0.51
▸ KMT2A Q03164 9/20 0.51
▸ ATM Q13315 3/20 0.51
▸ LMNA P02545 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ PTPN1 P18031 1/20 0.35

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
Hydrochloric Acid SCHEMBL15466260 0.99 SMN1; SMN2 (0.60) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL13727559 0.88 L3MBTL1 (0.52) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL15465839 0.87 L3MBTL1 (0.51) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL13728187 0.83 L3MBTL1 (0.44) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL13727087 0.83 L3MBTL1 (0.39) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL13725674 0.83 L3MBTL1 (0.39) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL13726487 0.83 L3MBTL1 (0.44) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL15465082 0.82 TSHR (0.40) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL15465846 0.82 L3MBTL1 (0.43) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL15465784 0.82 SMN1; SMN2 (0.40) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-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 SMN1; SMN2 4689/4885TSHR 2263/4885MAPK1 2526/4885

“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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