SCHEMBL9003

SCHEMBL9003

Brc1ccc2nc[c]cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
HTT P42858 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
PABPC1 P11940 1/20 0.36
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CHEK1 O14757 1/20 0.33
PIM1 P11309 1/20 0.33
AKT1 P31749 1/20 0.33
FLT3 P36888 1/20 0.33
PIM3 Q86V86 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS1 P29475 1/20 0.33
METAP2 P50579 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PRNP P04156 1/20 0.32

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
SCHEMBL209087 0.84 HTT (0.50) BACE1HTTCYP1A2CYP2C19PABPC1
SCHEMBL208132 0.76 BACE1 (0.41) BACE1HTTCYP1A2CYP2A6ALDH1A1
SCHEMBL207483 0.76 NR4A2 (0.37) BACE1CYP2A6ALDH1A1KDM4EMEN1
SCHEMBL4657766 0.76 ALDH1A1 (0.50) BACE1CYP1A2CYP2A6ALDH1A1KDM4E
SCHEMBL3386371 0.76 ESR2 (0.39) HTTCYP1A2ALDH1A1KDM4EMEN1
SCHEMBL5507525 0.76 KDM4E (0.50) HTTALDH1A1KDM4EMEN1MAPT
SCHEMBL4822677 0.73 PIN1 (0.41) CYP2A6ALDH1A1KDM4EMETAP2
SCHEMBL27645281 0.73 MAPK1 (0.39) BACE1ALDH1A1KDM4EMAPTBIRC5
SCHEMBL209010 0.72
SCHEMBL6381092 0.72 EGFR (0.53) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2

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 48 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-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 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
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO 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 (6 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 BACE1 3326/4885HTT 1467/4885CYP1A2 238/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885HTT 2635/4885CYP1A2 2631/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885HTT 2635/4885CYP1A2 2631/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885HTT 2635/4885CYP1A2 2631/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BACE1 1672/4885HTT 2126/4885CYP1A2 2535/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 BACE1 3719/4885HTT 1833/4885CYP1A2 273/4885

“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.