SCHEMBL1492671

SCHEMBL1492671

COC(=O)c1ccc(-c2ccnc(C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.58
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PORCN Q9H237 1/20 0.51
PSEN1 P49768 5/20 0.51
PSEN2 P49810 5/20 0.51
APH1B Q8WW43 5/20 0.51
NCSTN Q92542 5/20 0.51
APH1A Q96BI3 5/20 0.51
PSENEN Q9NZ42 5/20 0.51
EGFR P00533 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 1/20 0.50
SLC2A1 P11166 1/20 0.49
WNT3A P56704 3/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48

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
Hydrochloric Acid SCHEMBL5548061 0.98 DYRK1A (0.57) DYRK1AROCK2ROCK1KDM4EALDH1A1
Dimethylamine SCHEMBL7229844 0.97 DYRK1A (0.55) DYRK1AROCK2ROCK1KDM4EALDH1A1
SCHEMBL17386399 0.85 KDM4E (0.59) KDM4EALDH1A1EGFRTDP1ERN1
SCHEMBL5562183 0.84 CDK8 (0.54) DYRK1AROCK2ROCK1KDM4EPORCN
SCHEMBL6298847 0.84 CA12 (0.51) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL23380278 0.83 KDM4E (0.51) KDM4EALDH1A1EGFRTDP1ERN1
SCHEMBL5542944 0.83 MKNK1 (0.67) DYRK1AROCK2ROCK1KDM4EALDH1A1
SCHEMBL4426879 0.81 RXRA (0.55) DYRK1APORCNPSEN1PSEN2APH1B
SCHEMBL7223701 0.81 MKNK1 (0.53) ROCK1KDM4EALDH1A1EGFRERN1
SCHEMBL5564450 0.81 KDM4E (0.63) DYRK1AKDM4EALDH1A1WNT3AHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
CN-102083794-A Urea compounds as gamma secretase modulators AMGEN INC 2011-06-01 CN disclosed
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
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 disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 DYRK1A 4836/4885ROCK2 4585/4885ROCK1 4259/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S DYRK1A 2209/4885ROCK2 4844/4885ROCK1 4719/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL DYRK1A 2321/4885ROCK2 4168/4885ROCK1 3377/4885
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 DYRK1A 3616/4885ROCK2 4843/4885ROCK1 4611/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 DYRK1A 2570/4885ROCK2 4778/4885ROCK1 4457/4885

“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.