SCHEMBL3603722

SCHEMBL3603722

FC(F)(F)c1c[c]ccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
NOTUM Q6P988 3/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CNR2 P34972 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 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
SCHEMBL17911877 0.87 AKR1C3 (0.46) AKR1C3NOTUMKDM4EALDH1A1LMNA
SCHEMBL3609693 0.85 NOTUM (0.41) AKR1C3NOTUMPDE3BPDE3A
SCHEMBL12505776 0.83 NOTUM (0.40) NOTUMALDH1A1PDE3BPDE3AS1PR1
SCHEMBL1899441 0.83 NOTUM (0.40) NOTUMALDH1A1PDE3BPDE3AS1PR1
SCHEMBL16719169 0.81 NCF1 (0.45) KDM4EALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL605920 0.81 ASIC3 (0.43) KDM4EALDH1A1HPGDHSD17B10PDE3B
SCHEMBL27677143 0.78 KMT2A (0.41) AKR1C3KDM4EALDH1A1LMNAPDE3B
SCHEMBL1570389 0.78 HPGD (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL18039581 0.77 CHRM4 (0.39) KDM4EALDH1A1CNR2TSHRMAPT
SCHEMBL2125041 0.76 MAPT (0.50) AKR1C3KDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2019-01-08 US claimed
US-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2018-02-08 US claimed
US-9540348-B2 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient INDUSTRYUNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2017-01-10 US claimed
WO-2016137060-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 한양대학교 에리카산학협력단 2016-09-01 WO claimed
US-20160200706-A1 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2016-07-14 US claimed
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2019-01-08 US disclosed
US-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2018-02-08 US disclosed
US-9540348-B2 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient INDUSTRYUNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2017-01-10 US disclosed
US-20160200706-A1 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2016-07-14 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US disclosed
EP-2074110-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-07-01 EP disclosed
CN-101421264-A Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2009-04-29 CN disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
CN-101031560-A Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2007-09-05 CN disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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-20160200706-A1 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient BRAF, ARAF, NRAS AKR1C3 2554/4885NOTUM 3165/4885KDM4E 1476/4885
US-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT RET, PDGFRB, FLT3 AKR1C3 2624/4885NOTUM 2462/4885KDM4E 1620/4885
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient PDGFRB, RET, PDGFRA AKR1C3 2692/4885NOTUM 3052/4885KDM4E 1884/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C AKR1C3 899/4885NOTUM 3380/4885KDM4E 3143/4885

“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.