SCHEMBL13726870

SCHEMBL13726870

Clc1cccc2c1-n1cccc1C(c1ccncc1)NC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TSHR P16473 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ LMNA P02545 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 10/20 0.46
▸ KMT2A Q03164 10/20 0.46
▸ ATM Q13315 3/20 0.46
▸ GAA P10253 2/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RECQL P46063 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 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
SCHEMBL9288583 0.80 LMNA (0.47) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13726427 0.80 L3MBTL1 (0.49) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
Bromide SCHEMBL15466167 0.79 L3MBTL1 (0.48) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL15303654 0.78 L3MBTL1 (0.47) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13726616 0.77 L3MBTL1 (0.60) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
Bromide SCHEMBL15465949 0.76 L3MBTL1 (0.59) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
Bromide SCHEMBL15466254 0.76 L3MBTL1 (0.59) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13726487 0.72 L3MBTL1 (0.44) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13725506 0.72 L3MBTL1 (0.44) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL9952292 0.72 KMT2A (0.46) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA

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 L3MBTL1 4609/4885TSHR 2263/4885SMN1; SMN2 4689/4885

“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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