SCHEMBL3601343

SCHEMBL3601343

N#Cc1cc(Br)c(N)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.46
HKDC1 Q2TB90 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.41
DYRK1A Q13627 1/20 0.40
IMPDH2 P12268 3/20 0.38
IMPDH1 P20839 2/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
CASP6 P55212 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
AR P10275 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18026437 0.85 DYRK1A (0.40) CTSBHKDC1NCOA3DYRK1AIMPDH2
SCHEMBL27882612 0.81 TSHR (0.47) NCOA3IMPDH2IMPDH1KDM4EGAA
SCHEMBL12284650 0.79 DYRK1A (0.42) CTSBHKDC1DYRK1AIMPDH2IMPDH1
Hydrochloric Acid SCHEMBL7700516 0.79 TSHR (0.45) NCOA3IMPDH2IMPDH1KDM4EGAA
SCHEMBL8474768 0.77 NCOA3 (0.41) NCOA3DYRK1AIMPDH2IMPDH1KDM4E
SCHEMBL25996486 0.77 HKDC1 (0.49) CTSBHKDC1DYRK1AKDM4EGAA
SCHEMBL27882606 0.77 IMPDH2 (0.59) IMPDH2IMPDH1KDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL8479707 0.76 NCOA3 (0.40) NCOA3DYRK1AIMPDH2IMPDH1KDM4E
SCHEMBL4880191 0.74 CTSB (0.55) CTSBHKDC1KDM4EGAAALDH1A1
SCHEMBL30064912 0.74 CTSB (0.55) CTSBHKDC1KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119735604-A Copper complex and organic electroluminescent device 深圳大学 2025-04-01 CN disclosed
EP-3044284-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
US-9831448-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-9831448-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-20160233443-A1 Metal Complexes MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20160233443-A1 Metal Complexes MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
WO-2015036074-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-03-19 WO disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20160233443-A1 Metal Complexes AP1M1, SOD1, AP3M1 CTSB 3271/4885HKDC1 4298/4885NCOA3 373/4885
US-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 CTSB 4422/4885HKDC1 3034/4885NCOA3 42/4885

“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.