SCHEMBL208180

SCHEMBL208180

C#Cc1ccc2nc[c]cc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.35
TYMS P04818 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
CDC7 O00311 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL207977 0.86 TYMS (0.33) MAP3K14TYMSCYP1A1CYP1B1CDC7
SCHEMBL4822677 0.84 PIN1 (0.41) CDC7
SCHEMBL16289744 0.79
SCHEMBL27928157 0.74 ALDH1A1 (0.37) CYP1A1CYP1B1
SCHEMBL207483 0.72 NR4A2 (0.37)
SCHEMBL9003 0.72 BACE1 (0.41)
SCHEMBL3386371 0.72 ESR2 (0.39)
SCHEMBL208132 0.72 BACE1 (0.41) TYMS
SCHEMBL4657766 0.72 ALDH1A1 (0.50)
SCHEMBL5507525 0.72 KDM4E (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
CN-104105694-A Amide compound and use thereof for pest control SUMITOMO CHEMICAL CO 2014-10-15 CN disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 MAP3K14 4322/4885TYMS 1405/4885CYP1A1 60/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R MAP3K14 3366/4885TYMS 1206/4885CYP1A1 1123/4885
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 MAP3K14 4318/4885TYMS 4272/4885CYP1A1 117/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MAP3K14 3366/4885TYMS 1206/4885CYP1A1 1123/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 MAP3K14 4273/4885TYMS 4746/4885CYP1A1 217/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAP3K14 3366/4885TYMS 1206/4885CYP1A1 1123/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 MAP3K14 4118/4885TYMS 1441/4885CYP1A1 105/4885

“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.