SCHEMBL208656

SCHEMBL208656

Clc1ccc2c[c]nnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.41
PIK3CG P48736 1/20 0.40
DYRK1A Q13627 2/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2A6 P11509 1/20 0.35
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 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
SCHEMBL206933 0.76 BACE1 (0.42) DYRK1AMAPTKDM4EALDH1A1MEN1
SCHEMBL207606 0.72 TYMS (0.33)
SCHEMBL3749945 0.69 NR4A2 (0.42) NR4A2PIK3CGDYRK1AF7F3
SCHEMBL10963624 0.68 PIK3CG (0.48) NR4A2PIK3CGDYRK1AF7F3
SCHEMBL207927 0.68 NR4A2 (0.50) NR4A2PIK3CGDYRK1AF7F3
SCHEMBL28507119 0.67 NR4A2 (0.53) NR4A2PIK3CGDYRK1AF7F3
SCHEMBL693087 0.67 ALDH1A1 (0.42) NR4A2PIK3CGDYRK1AF7F3
SCHEMBL7608692 0.66 NR4A2 (0.52) NR4A2PIK3CGDYRK1AF7F3
SCHEMBL207987 0.65 NR4A2 (0.47) NR4A2PIK3CGDYRK1AF7F3
SCHEMBL407901 0.65 PIK3CG (0.46) NR4A2PIK3CGDYRK1AF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094233-B Compounds, compositions, and methods 戴纳立制药公司 2024-03-15 CN claimed
US-20210147435-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2021-05-20 US claimed
EP-3665156-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2020-06-17 EP claimed
CN-111094233-A Compounds, compositions and methods 戴纳立制药公司 2020-05-01 CN claimed
WO-2019032743-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2019-02-14 WO claimed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP claimed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US claimed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US claimed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US claimed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
CN-118239937-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 CN disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (7 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S NR4A2 1763/4885PIK3CG 3186/4885DYRK1A 2209/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 NR4A2 2622/4885PIK3CG 4108/4885DYRK1A 2598/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 NR4A2 2850/4885PIK3CG 3448/4885DYRK1A 3616/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R NR4A2 3125/4885PIK3CG 3583/4885DYRK1A 2574/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R NR4A2 3125/4885PIK3CG 3583/4885DYRK1A 2574/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R NR4A2 3125/4885PIK3CG 3583/4885DYRK1A 2574/4885
US-20210147435-A1 COMPOUNDS, COMPOSITIONS AND METHODS EIF4EBP1, EIF4B, EIF4E NR4A2 2920/4885PIK3CG 705/4885DYRK1A 3904/4885

“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.