SCHEMBL208187

SCHEMBL208187

C#Cc1ccc2cn[c]cc2c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
TYMS P04818 1/20 0.34
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL207497 0.93 CYP1A1 (0.37) CYP1A1CYP1B1TYMSCDC7CDK2
SCHEMBL208905 0.73 PARP1 (0.35)
SCHEMBL208208 0.73 PARP1 (0.35)
SCHEMBL1478481 0.72 CYP1A1 (0.54) CYP1A1CYP1B1TYMSCDC7CDK2
SCHEMBL207996 0.71 BACE1 (0.42)
SCHEMBL207724 0.71 BACE1 (0.42)
SCHEMBL209443 0.71 CYP2A6 (0.41)
SCHEMBL12986899 0.70 CYP1A1 (0.52) CYP1A1CYP1B1TYMSCDC7CDK2
SCHEMBL10481157 0.70 CYP1A1 (0.52) CYP1A1CYP1B1TYMSCDC7CDK2
SCHEMBL1519614 0.69 MELK (0.53) CYP1A1CYP1B1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP 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
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-8058440-B2 Process for producing 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-15 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US 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-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577301-A1 DIAMINE 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 CYP1A1 60/4885CYP1B1 178/4885TYMS 1405/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CYP1A1 1123/4885CYP1B1 1887/4885TYMS 1206/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CYP1A1 1123/4885CYP1B1 1887/4885TYMS 1206/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CYP1A1 1123/4885CYP1B1 1887/4885TYMS 1206/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CYP1A1 2740/4885CYP1B1 3932/4885TYMS 2667/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CYP1A1 1029/4885CYP1B1 1857/4885TYMS 1228/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CYP1A1 105/4885CYP1B1 143/4885TYMS 1441/4885

“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.