SCHEMBL10036353

SCHEMBL10036353

Nc1nc(Cl)cc(Nc2ccc(Sc3ccncc3)c(Cl)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.61
ROCK2 O75116 5/20 0.58
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.45
PDE7A Q13946 2/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7B Q9NP56 1/20 0.42
CYP3A4 P08684 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
AGPAT2 O15120 2/20 0.39
MEN1 O00255 1/20 0.37
ROCK1 Q13464 1/20 0.36

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
SCHEMBL716799 0.88 ROCK2 (0.76) POLA1ROCK2MAPTPOLBGAA
SCHEMBL10036308 0.88 ROCK2 (0.76) POLA1ROCK2MAPTPOLBGAA
SCHEMBL5253850 0.85 POLA1 (0.57) POLA1ROCK2MAPTPOLBGAA
SCHEMBL14340751 0.82 POLA1 (0.53) POLA1ROCK2MAPTPOLBGAA
SCHEMBL13115515 0.80 ROCK2 (0.53) POLA1ROCK2MAPTPOLBGAA
SCHEMBL3364603 0.78 ROCK2 (0.56) POLA1ROCK2MAPTPOLBGAA
SCHEMBL10036350 0.76 ROCK2 (0.79) POLA1ROCK2MAPTKMT2ACYP3A4
SCHEMBL6396934 0.74 ROCK2 (1.00) ROCK2CYP3A4AGPAT2ROCK1
SCHEMBL5254355 0.74 ROCK2 (1.00) ROCK2MAPTCYP3A4NPC1CYP1A2
SCHEMBL10036351 0.74 ROCK2 (0.79) POLA1ROCK2MAPTCYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 POLA1 3367/4885ROCK2 3/4885MAPT 1689/4885

“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.