SCHEMBL16896830

SCHEMBL16896830

COc1cc2c(cc1Br)OCCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
HTR2C P28335 9/20 0.42
HTR2A P28223 8/20 0.42
HTR2B P41595 4/20 0.42
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 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
SCHEMBL31452928 1.00 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTHTR2C
SCHEMBL22226821 0.82 GAA (0.51) ALDH1A1GAAHSD17B10MAPTHTR2A
SCHEMBL30954131 0.81 GAA (0.46) ALDH1A1GAAHSD17B10MAPTHTR2C
SCHEMBL27432819 0.81 GAA (0.46) ALDH1A1GAAHSD17B10MAPTHTR2C
SCHEMBL31457717 0.80 FABP6 (0.49) HTR2CHTR2AHTR2BKDM4ETP53
SCHEMBL32690096 0.80 ALDH1A1 (0.40) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL24100098 0.79 ALDH1A1 (0.42) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL1853383 0.78 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10MAPTHTR2C
SCHEMBL31444057 0.78 ALDH1A1 (0.39) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL18115422 0.77 HPGD (0.56) ALDH1A1GAAHSD17B10MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260085077-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2026-03-26 US disclosed
EP-4583976-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-07-16 EP disclosed
EP-4583977-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-07-16 EP disclosed
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
WO-2024052513-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 WO disclosed
WO-2024052512-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 WO 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
CN-107074816-B Heterocyclic derivative, preparation method and medical application thereof 四川海思科制药有限公司 2020-07-17 CN disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
CN-107074816-A A kind of Hete rocyclic derivatives and preparation method thereof and in purposes pharmaceutically 四川海思科制药有限公司 2017-08-18 CN 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-2016155573-A1 HETEROCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 四川海思科制药有限公司 2016-10-06 WO disclosed
WO-2016155573-A1 HETEROCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 四川海思科制药有限公司 2016-10-06 WO 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 (3 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 ALDH1A1 2949/4885GAA 3077/4885HSD17B10 1996/4885
US-20260085077-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS TYK2, JAK1, JAK3 ALDH1A1 3695/4885GAA 4503/4885HSD17B10 2251/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 ALDH1A1 2949/4885GAA 3077/4885HSD17B10 1996/4885

“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.