SCHEMBL8000653

SCHEMBL8000653

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 2/20 0.44
CCNE2 O96020 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL4231205 0.90 HDAC1 (0.51) ROCK2ROCK1CCNE2CCNE1CDK2
SCHEMBL7998192 0.88 HTT (0.42) ROCK2ROCK1HDAC1HDAC3HDAC2
SCHEMBL1482300 0.88 ROCK2 (0.41) ROCK2ROCK1HDAC1HDAC3HDAC2
SCHEMBL1496974 0.87 MEN1 (0.43) ROCK2ROCK1HDAC1HDAC3HDAC2
SCHEMBL1496890 0.86 ROCK2 (0.49) ROCK2ROCK1HDAC1HDAC3HDAC2
SCHEMBL1497129 0.86 ROCK2 (0.42) ROCK2ROCK1HDAC1HDAC3HDAC2
SCHEMBL1497119 0.86 ROCK2 (0.42) ROCK2ROCK1HDAC1HDAC3HDAC2
SCHEMBL1497118 0.86 NAMPT (0.45) ROCK2ROCK1CCNE2CCNE1CDK2
SCHEMBL8002177 0.86 ROCK2 (0.50) ROCK2ROCK1HDAC1HDAC3HDAC2
SCHEMBL1497176 0.85 PDCD1 (0.39) ROCK2ROCK1HDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 US disclosed
WO-2009142321-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE 参天製薬株式会社 (JP) 2009-11-26 WO 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 ROCK2 3193/4885ROCK1 2339/4885CCNE2 147/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ROCK2 4568/4885ROCK1 4291/4885CCNE2 117/4885

“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.