SCHEMBL5308148

SCHEMBL5308148

Cc1cc(Nc2ccc(Sc3ccncc3)nc2)nc(N)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.73
CYP1A2 P05177 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.45
DNMT1 P26358 3/20 0.44
DNMT3L Q9UJW3 2/20 0.44
DNMT3A Q9Y6K1 2/20 0.44
AMD1 P17707 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MYC P01106 1/20 0.38
MAP2K3 P46734 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38

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
SCHEMBL10036305 0.85 ROCK2 (1.00) ROCK2CYP1A2RAB9ANPC1CYP3A4
SCHEMBL720201 0.78 ROCK2 (0.77) ROCK2CYP1A2RAB9ANPC1CYP3A4
SCHEMBL5254355 0.78 ROCK2 (1.00) ROCK2CYP1A2RAB9ANPC1CYP3A4
SCHEMBL10036308 0.78 ROCK2 (0.76) ROCK2CYP1A2RAB9ANPC1CYP3A4
SCHEMBL12218294 0.78 RAB9A (0.65) ROCK2CYP1A2RAB9ANPC1CYP3A4
SCHEMBL5256438 0.77 ROCK2 (0.71) ROCK2CYP1A2RAB9ANPC1CYP3A4
SCHEMBL3068922 0.76 RAB9A (0.63) ROCK2CYP1A2RAB9ANPC1CYP3A4
SCHEMBL5256077 0.75 ROCK2 (0.74) ROCK2CYP1A2RAB9ANPC1CYP3A4
SCHEMBL715864 0.75 ROCK2 (0.75) ROCK2CYP1A2RAB9ANPC1CYP3A4
SCHEMBL5254472 0.75 ROCK2 (0.71) ROCK2CYP1A2RAB9ANPC1CYP3A4

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
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
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 3/4885CYP1A2 1810/4885RAB9A 272/4885
US-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885CYP1A2 1810/4885RAB9A 272/4885
US-20050209261-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885CYP1A2 1810/4885RAB9A 272/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ROCK2 3/4885CYP1A2 1810/4885RAB9A 272/4885

“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.