SCHEMBL16896776

SCHEMBL16896776

COc1cc2c(cc1Br)OCCN2C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
TP53 P04637 3/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 1/20 0.47
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
IMPDH2 P12268 1/20 0.42
GLA P06280 1/20 0.40

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
SCHEMBL30665873 1.00 NOTUM (0.50) NOTUMTP53KMT2AMEN1THRB
SCHEMBL20373574 0.84 NOTUM (0.50) NOTUMTP53KMT2AMEN1THRB
SCHEMBL31580344 0.84 USP30 (0.41) TP53KMT2AMEN1THRBMAPT
SCHEMBL31452933 0.84 USP30 (0.41) TP53KMT2AMEN1THRBMAPT
SCHEMBL23407655 0.79 NOTUM (0.54) NOTUMTP53KMT2AMEN1THRB
SCHEMBL31017016 0.79 RXFP1 (0.46) NOTUMKMT2ATHRBMAPTGLA
SCHEMBL16896826 0.77 MEN1 (0.43) NOTUMTP53KMT2AMEN1THRB
SCHEMBL6985785 0.75 KMT2A (0.60) NOTUMTP53KMT2AMEN1THRB
SCHEMBL13699025 0.75 NOTUM (0.60) NOTUMTP53KMT2AMEN1THRB
SCHEMBL594255 0.74 NOTUM (0.63) NOTUMKMT2AMEN1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 EP disclosed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 CN disclosed
WO-2023216753-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-11-16 WO disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 WO disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 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 (4 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 NOTUM 2796/4885TP53 1351/4885KMT2A 1208/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 NOTUM 2796/4885TP53 1351/4885KMT2A 1208/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 NOTUM 2796/4885TP53 1351/4885KMT2A 1208/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 NOTUM 2796/4885TP53 1351/4885KMT2A 1208/4885

“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.