SCHEMBL5542944

SCHEMBL5542944

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.67
MKNK2 Q9HBH9 1/20 0.67
DYRK1A Q13627 2/20 0.59
ROCK1 Q13464 2/20 0.54
ROCK2 O75116 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
IKBKE Q14164 1/20 0.49
TBK1 Q9UHD2 1/20 0.49
CIT O14578 1/20 0.49
EGFR P00533 1/20 0.49
ERN1 O75460 1/20 0.49
ABL1 P00519 1/20 0.46

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
SCHEMBL17386399 0.84 KDM4E (0.59) KDM4EALDH1A1CA12CA1CA2
SCHEMBL7223701 0.83 MKNK1 (0.53) MKNK1MKNK2ROCK1KDM4EALDH1A1
SCHEMBL1492671 0.83 DYRK1A (0.58) DYRK1AROCK1ROCK2KDM4EALDH1A1
SCHEMBL29437205 0.82 GABRP (0.61) MKNK1MKNK2DYRK1AROCK1KDM4E
SCHEMBL339851 0.82 GABRP (0.61) MKNK1MKNK2DYRK1AROCK1KDM4E
SCHEMBL23380278 0.81 KDM4E (0.51) KDM4EALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL5548061 0.81 DYRK1A (0.57) DYRK1AROCK1ROCK2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2715680 0.80 GABRP (0.59) MKNK1MKNK2DYRK1AROCK1KDM4E
Dimethylamine SCHEMBL7229844 0.80 DYRK1A (0.55) DYRK1AROCK1ROCK2KDM4EALDH1A1
SCHEMBL14496862 0.79 KDM4E (0.46) MKNK1MKNK2DYRK1AROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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 (2 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S MKNK1 3910/4885MKNK2 4065/4885DYRK1A 2209/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 MKNK1 4210/4885MKNK2 4273/4885DYRK1A 1092/4885

“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.