SCHEMBL204654

SCHEMBL204654

Clc1cccc2nn[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.44
CHEK1 O14757 1/20 0.42
FLT3 P36888 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
AHR P35869 1/20 0.38
AR P10275 1/20 0.36
PSMB8 P28062 3/20 0.35
DAO P14920 1/20 0.35
PARP1 P09874 2/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CLK1 P49759 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL9207975 0.74
SCHEMBL3085049 0.74 AXL (0.41) CHEK1FLT3PLK3PARP1GAA
SCHEMBL863550 0.74
SCHEMBL689339 0.74 ACHE (0.41) ARPSMB8CA12CYP1A2GAA
SCHEMBL4217491 0.74 GAA (0.37) CHEK1AHRARPARP1CA9
SCHEMBL24388617 0.74 NOS1 (0.35) NOS1CLK1DYRK1ACLK4DYRK1B
SCHEMBL16178984 0.74 PARP1 (0.35) DAOPARP1CA12CA9GAA
SCHEMBL21120441 0.73
Water SCHEMBL4573586 0.72 ACHE (0.40) ARPSMB8CA12CYP1A2GAA
SCHEMBL30958241 0.72 KEAP1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4660199-A1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION Sage Therapeutics, Inc. (US) 2025-12-10 EP disclosed
EP-3719030-B1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION SAGE THERAPEUTICS INC (US) 2024-07-10 EP disclosed
EP-3719030-B1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION SAGE THERAPEUTICS INC (US) 2024-07-10 EP disclosed
CN-117304245-A 19-nor steroids that stimulate neural activity and methods of use thereof 萨奇治疗股份有限公司 2023-12-29 CN disclosed
CN-112110976-B 19-nor steroids that stimulate neural activity and methods of use thereof 萨奇治疗股份有限公司 2023-08-29 CN disclosed
US-11261211-B2 19-NOR neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2022-03-01 US disclosed
CN-112110976-A 19-nor steroids that stimulate neural activity and methods of use thereof 萨奇治疗股份有限公司 2020-12-22 CN disclosed
CN-105246909-B 19-nor steroids that stimulate neural activity and methods of use thereof 萨奇治疗股份有限公司 2020-10-13 CN disclosed
EP-3719030-A1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION Sage Therapeutics, Inc. (US) 2020-10-07 EP disclosed
EP-3719030-A1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION Sage Therapeutics, Inc. (US) 2020-10-07 EP disclosed
US-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2012-06-14 US disclosed
US-8088801-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-01-03 US disclosed
CN-102272105-A enantiomerically enriched aryloazol-2-yl cyanoethylamino parasiticidal compounds 2011-12-07 CN disclosed
EP-2364301-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial Limited (US) 2011-09-14 EP disclosed
WO-2010056999-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2010-05-20 WO disclosed
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2010-05-20 US disclosed
EP-2155699-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial Limited (US) 2010-02-24 EP disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
WO-2008144275-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2008-11-27 WO disclosed
US-4585472-A PRE- AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-04-29 US 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-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR NOS1 2909/4885CHEK1 3485/4885FLT3 349/4885
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR NOS1 2909/4885CHEK1 3485/4885FLT3 349/4885
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 NOS1 3939/4885CHEK1 3738/4885FLT3 542/4885
US-11261211-B2 19-NOR neuroactive steroids and methods of use thereof NR3C2, HSD3B1, NR3C1 NOS1 323/4885CHEK1 4402/4885FLT3 4802/4885

“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.