SCHEMBL3458513

SCHEMBL3458513

c1ccc2c(c1)CNCc1cccn1-2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ATM Q13315 3/20 0.40
▸ LMNA P02545 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ OXTR P30559 1/20 0.36
▸ PNMT P11086 1/20 0.35
▸ CD44 P16070 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ SRD5A1 P18405 1/20 0.32
▸ PTPN1 P18031 1/20 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
SCHEMBL1864058 0.76 SMN1; SMN2 (0.40) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL29482380 0.76 SMN1; SMN2 (0.40) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL7340954 0.75 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL3452730 0.74 PNMT (0.41) TSHRMAPK1L3MBTL1LMNAHSD17B10
SCHEMBL30963678 0.72 BRPF1 (0.44) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
Hydroxyamine SCHEMBL9656518 0.72 TSHR (0.37) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL2731241 0.72 BRPF1 (0.44) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL9654083 0.71 PNMT (0.32) PNMT
SCHEMBL18838970 0.71 IKBKB (0.32) MAPK1ATM
SCHEMBL13125562 0.70 SMN1; SMN2 (0.36) 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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024102999-A2 SMALL MOLECULE INHIBITORS FOR THE TREATMENT AND PREVENTION OF CORONAVIRUS INFECTIONS OHIO STATE INNOVATION FOUNDATION (US) 2024-05-16 — — WO disclosed
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-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-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-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
CN-106674226-A 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 詹森药业有限公司 2017-05-17 — — CN disclosed
CN-106674226-A 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 詹森药业有限公司 2017-05-17 — — CN disclosed
US-9637490-B2 Antifungal 5,6-dihydro-4-[(difluoroethyl)phenyl]-4H-pyrrolo[1,2-α][1,4]benzodiazepine and 4-(difluoroethyl)phenyl-6H-pyrrolo[1,2-α][1,4]benzodiazepine derivatives JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 — — US disclosed
US-9637490-B2 Antifungal 5,6-dihydro-4-[(difluoroethyl)phenyl]-4H-pyrrolo[1,2-α][1,4]benzodiazepine and 4-(difluoroethyl)phenyl-6H-pyrrolo[1,2-α][1,4]benzodiazepine derivatives JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 — — US disclosed
EP-1392691-B1 ANTIFUNGAL 4-SUBSTITUTED 5,6-DIHYDRO-4H-PYRROLO[1,2-A] [1,4] BENZODIAZEPINES JANSSEN PHARMACEUTICA NV (BE) 2009-05-20 — — EP disclosed
EP-1392691-B1 ANTIFUNGAL 4-SUBSTITUTED 5,6-DIHYDRO-4H-PYRROLO[1,2-A] [1,4] BENZODIAZEPINES JANSSEN PHARMACEUTICA NV (BE) 2009-05-20 — — EP disclosed
US-20070232593-A1 ANTIFUNGAL 4-SUBSTITUTED 5,6-DIHYDRO-4H-PYRROLO [1,2-a][1,4]BENZODIAZEPINES GILKERSON TERENCE 2007-10-04 — — US disclosed
US-20070232593-A1 ANTIFUNGAL 4-SUBSTITUTED 5,6-DIHYDRO-4H-PYRROLO [1,2-a][1,4]BENZODIAZEPINES GILKERSON TERENCE 2007-10-04 — — US disclosed
US-7202240-B2 Antifungal 4-substituted 5,6-dihydro-4h-pyrrolo[1,2-a][1,4] benzodiazepines JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 — — US disclosed
US-7202240-B2 Antifungal 4-substituted 5,6-dihydro-4h-pyrrolo[1,2-a][1,4] benzodiazepines JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 — — US disclosed
US-20040266756-A1 Antifungal 4-substituted 5,6-dihydro-4h-pyrrolo[1,2-a][1,4] benzodiazepines JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-30 — — US disclosed
EP-1392691-A1 ANTIFUNGAL 4-SUBSTITUTED 5,6-DIHYDRO-4 u H /u -PYRROLO 1,2-A] 1,4]BENZODIAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-03 — — EP disclosed
WO-2002034752-A1 ANTIFUNGAL 4-SUBSTITUTED 5,6-DIHYDRO-4H-PYRROLO[1,2-A][1,4]BENZODIAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-02 — — WO disclosed
WO-2002034752-A1 ANTIFUNGAL 4-SUBSTITUTED 5,6-DIHYDRO-4H-PYRROLO[1,2-A][1,4]BENZODIAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-02 — — 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-20070232593-A1 ANTIFUNGAL 4-SUBSTITUTED 5,6-DIHYDRO-4H-PYRROLO [1,2-a][1,4]BENZODIAZEPINES GABBR1, HRH4, CYP8B1 SMN1; SMN2 4847/4885TSHR 892/4885MAPK1 2422/4885
US-20040266756-A1 Antifungal 4-substituted 5,6-dihydro-4h-pyrrolo[1,2-a][1,4] benzodiazepines CYP1B1, CBR1, CYP2E1 SMN1; SMN2 4729/4885TSHR 1721/4885MAPK1 939/4885

“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.

Send feedback