Sugi Predict

Sugi Predict / Compounds / SCHEMBL716799

SCHEMBL716799

SCHEMBL716799

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.76
▸ POLA1 P09884 1/20 0.52
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP3A4 P08684 5/20 0.45
▸ OPRK1 P41145 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ ERBB2 P04626 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
SCHEMBL10036350 0.88 ROCK2 (0.79) ROCK2POLA1MAPTCYP3A4KMT2A
SCHEMBL10036353 0.88 POLA1 (0.61) ROCK2POLA1MAPTPOLBGAA
SCHEMBL10036351 0.86 ROCK2 (0.79) ROCK2POLA1MAPTCYP3A4ROCK1
SCHEMBL6396934 0.86 ROCK2 (1.00) ROCK2CYP3A4ROCK1AURKB
SCHEMBL5254355 0.86 ROCK2 (1.00) ROCK2MAPTCYP3A4ROCK1NPC1
SCHEMBL3364603 0.86 ROCK2 (0.56) ROCK2POLA1MAPTPOLBGAA
SCHEMBL5258504 0.84 ROCK2 (0.76) ROCK2POLA1MAPTCYP3A4ROCK1
SCHEMBL10036321 0.83 ROCK2 (0.71) ROCK2CYP3A4ROCK1CDC7PRKACA
SCHEMBL10036325 0.83 ROCK2 (0.74) ROCK2POLA1CYP3A4ROCK1AURKA
SCHEMBL6387624 0.83 ROCK2 (0.74) ROCK2POLA1MAPTCYP3A4ROCK1

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 19 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
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
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 — — US disclosed
EP-1515965-B1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2010-10-06 — — EP 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-20050192304-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-01 — — US disclosed
US-6924290-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-02 — — US disclosed
EP-1470121-A1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-10-27 — — EP disclosed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 — — US disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 — — US disclosed
WO-2003062225-A1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-31 — — 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 (6 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 3/4885POLA1 3367/4885MAPT 1689/4885
US-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885POLA1 3367/4885MAPT 1689/4885
US-20050209261-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885POLA1 3367/4885MAPT 1689/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 ROCK2 5/4885POLA1 2399/4885MAPT 3152/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ROCK2 3/4885POLA1 3367/4885MAPT 1689/4885
US-20050192304-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885POLA1 3367/4885MAPT 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.