SCHEMBL1336745

SCHEMBL1336745

COc1ccc2nc(C)ccc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TDO2 P48775 1/20 0.40
NQO2 P16083 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 3/20 0.39
TERT O14746 1/20 0.39
PTPN11 Q06124 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAT2A P31153 1/20 0.37

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
SCHEMBL12132126 0.81 ADORA1 (0.44) ADORA1MEN1POLBKMT2ATDO2
SCHEMBL5189074 0.81 POLB (0.44) CYP19A1CYP11B1CYP11B2MEN1POLB
SCHEMBL1134024 0.81 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2POLBTDO2
SCHEMBL14047245 0.79 ADORA1 (0.42) ADORA1MEN1POLBKMT2ATDO2
SCHEMBL1336866 0.79 TDO2 (0.62) ADORA1CYP19A1MEN1POLBKMT2A
SCHEMBL1337919 0.79 MEN1 (0.44) ADORA1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL1338034 0.79 POLB (0.44) ADORA1MEN1POLBKMT2ATDO2
SCHEMBL14573267 0.77 ALDH1A1 (0.51) POLBKMT2AALDH1A1LMNAGAA
SCHEMBL1336684 0.77 PRKDC (0.41) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL17086891 0.76 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2NQO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2024-01-11 US disclosed
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions NOVARTIS AG (CH) 2023-06-13 US disclosed
EP-4105208-A1 1,4-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND THEIR USE FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS Novartis AG (CH) 2022-12-21 EP disclosed
EP-3027600-B1 1,4-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND THEIR USE FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2022-04-06 EP disclosed
US-20190160062-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2019-05-30 US disclosed
EP-3036228-B1 NEW 6-ALKYNYL PYRIDINE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-04-19 EP disclosed
US-20160184305-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2016-06-30 US disclosed
EP-3036228-A1 NEW 6-ALKYNYL PYRIDINE Boehringer Ingelheim International GmbH (DE) 2016-06-29 EP disclosed
EP-3027600-A1 1,4-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND THEIR USE FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS Novartis AG (CH) 2016-06-08 EP disclosed
US-9278978-B2 6-Alkynyl Pyridine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 US disclosed
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH 2004-07-08 US disclosed
CN-1509290-A Process for synthesis of derivatives of 2,30dihydro-1,4-dioxino-[2,3-f]quinoline 2004-06-30 CN disclosed
WO-2004024733-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2004024731-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2004024734-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2004-03-25 WO disclosed
WO-2004024730-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
US-6693197-B2 Process for the synthesis of derivatives of 2,3-dihydro-1,4-dioxino- [2,3-f] quinoline WYETH 2004-02-17 US disclosed
EP-1387845-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-(2,3-f) QUINOLINE Wyeth (US) 2004-02-11 EP disclosed
US-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline WYETH 2002-12-12 US disclosed
WO-2002092602-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-[2,3-f] QUINOLINE WYETH (US) 2002-11-21 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 (6 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-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, PMP22 ADORA1 1675/4885CYP19A1 3205/4885CYP11B1 1115/4885
US-20160184305-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, SCN5A, SF3B5 ADORA1 1668/4885CYP19A1 3321/4885CYP11B1 1174/4885
US-20190160062-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, PMP22 ADORA1 1675/4885CYP19A1 3205/4885CYP11B1 1115/4885
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions SMN1; SMN2, CLN6, PMP22 ADORA1 1675/4885CYP19A1 3205/4885CYP11B1 1115/4885
US-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline CYP1A1, CYP2F1, CYP1B1 ADORA1 2833/4885CYP19A1 26/4885CYP11B1 156/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 ADORA1 1396/4885CYP19A1 1/4885CYP11B1 16/4885

“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.