SCHEMBL1497002

SCHEMBL1497002

COc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C(=O)Nc3cscc3N)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.51
ROCK1 Q13464 4/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CDC42BPA Q5VT25 2/20 0.49
GRM4 Q14833 1/20 0.43
THRB P10828 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2385338 0.90 ROCK2 (0.53) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL1496974 0.89 MEN1 (0.43) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL1497063 0.89 ROCK2 (0.46) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL1496890 0.89 ROCK2 (0.49) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL1497129 0.89 ROCK2 (0.42) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL1497119 0.89 ROCK2 (0.42) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL1496853 0.88 ROCK2 (0.49) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL8004774 0.85 ROCK2 (0.45) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL8000653 0.85 ROCK2 (0.45) ROCK2ROCK1HDAC3HDAC1HDAC2
SCHEMBL8002177 0.85 ROCK2 (0.50) ROCK2ROCK1CYP3A4CYP2D6CYP2C9

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-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
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP 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
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP 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 2339/4885CYP3A4 1586/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ROCK2 4568/4885ROCK1 4291/4885CYP3A4 287/4885

“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.