SCHEMBL5258504

SCHEMBL5258504

CCc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.76
CYP3A4 P08684 5/20 0.41
ROCK1 Q13464 1/20 0.38
AURKB Q96GD4 1/20 0.37
DHFR P00374 2/20 0.36
PDPK1 O15530 1/20 0.36
POLA1 P09884 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 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
SCHEMBL5254355 0.86 ROCK2 (1.00) ROCK2CYP3A4ROCK1DHFRNPC1
SCHEMBL10036351 0.86 ROCK2 (0.79) ROCK2CYP3A4ROCK1DHFRPOLA1
SCHEMBL10036350 0.86 ROCK2 (0.79) ROCK2CYP3A4ROCK1DHFRPOLA1
SCHEMBL5254631 0.86 ROCK2 (0.70) ROCK2CYP3A4ROCK1AURKBPDPK1
SCHEMBL6396934 0.84 ROCK2 (1.00) ROCK2CYP3A4ROCK1AURKB
SCHEMBL716799 0.84 ROCK2 (0.76) ROCK2CYP3A4ROCK1AURKBPDPK1
SCHEMBL6387624 0.83 ROCK2 (0.74) ROCK2CYP3A4ROCK1DHFRPOLA1
SCHEMBL10036325 0.83 ROCK2 (0.74) ROCK2CYP3A4ROCK1AURKBDHFR
SCHEMBL723650 0.83 ROCK2 (0.68) ROCK2CYP3A4ROCK1AURKBDHFR
SCHEMBL10036321 0.81 ROCK2 (0.71) ROCK2CYP3A4ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 EP disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 EP disclosed
US-20050209261-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-22 US disclosed
US-6943172-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-13 US disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 US 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 (4 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-20040002507-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885CYP3A4 2878/4885ROCK1 2/4885
US-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885CYP3A4 2878/4885ROCK1 2/4885
US-20050209261-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885CYP3A4 2878/4885ROCK1 2/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ROCK2 3/4885CYP3A4 2878/4885ROCK1 2/4885

“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.