SCHEMBL1496903

SCHEMBL1496903

CCNC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 6/20 0.38
CD274 Q9NZQ7 6/20 0.38
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 3/20 0.36
ACVR1 Q04771 1/20 0.36
HDAC3 O15379 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
NCOR2 Q9Y618 2/20 0.35
HDAC10 Q969S8 1/20 0.35
F10 P00742 1/20 0.33
CHEK2 O96017 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL8004725 0.93 PDCD1 (0.37) PDCD1CD274ROCK1ROCK2HDAC3
SCHEMBL1497176 0.90 PDCD1 (0.39) PDCD1CD274ROCK1ROCK2HDAC3
SCHEMBL1496987 0.89 THRA (0.36) PDCD1CD274ROCK1ROCK2HDAC3
SCHEMBL7988715 0.89 ROCK1 (0.41) PDCD1CD274ROCK1ROCK2HDAC3
SCHEMBL1497067 0.88 ROCK2 (0.41) PDCD1CD274ROCK1ROCK2HDAC3
SCHEMBL8001402 0.88 ROCK1 (0.41) PDCD1CD274ROCK1ROCK2HDAC3
SCHEMBL1482493 0.88 PDCD1 (0.41) PDCD1CD274ROCK1ROCK2HDAC3
SCHEMBL1496872 0.88 PDCD1 (0.38) PDCD1CD274ROCK1ROCK2HDAC3
SCHEMBL1482611 0.88 PDCD1 (0.38) PDCD1CD274ROCK1ROCK2ACVR1
SCHEMBL1483172 0.87 HIF1A (0.42) PDCD1CD274ROCK1ROCK2HDAC3

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 PDCD1 4160/4885CD274 4096/4885ROCK1 2339/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 PDCD1 4547/4885CD274 4718/4885ROCK1 4291/4885

“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.