SCHEMBL715864

SCHEMBL715864

Cc1cc(Nc2ccc(Sc3cccnc3)cc2)nc(N)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.75
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 1/20 0.57
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DNMT1 P26358 5/20 0.48
DNMT3L Q9UJW3 4/20 0.48
DNMT3A Q9Y6K1 4/20 0.48
MAPT P10636 2/20 0.46
ROCK1 Q13464 1/20 0.41
EHMT1 Q9H9B1 2/20 0.41
MYC P01106 1/20 0.41
MAP2K3 P46734 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
POLB P06746 1/20 0.40

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 0.86 ROCK2 (1.00) ROCK2CYP1A2CYP2D6RAB9ANPC1
SCHEMBL10036311 0.81 ROCK2 (0.76) ROCK2CYP1A2CYP2D6RAB9ANPC1
SCHEMBL720201 0.79 ROCK2 (0.77) ROCK2CYP1A2CYP2D6RAB9ANPC1
SCHEMBL10036318 0.76 ROCK2 (0.61) ROCK2RAB9ANPC1CYP3A4MEN1
SCHEMBL4535151 0.75 CYP1A2 (0.59) ROCK2CYP1A2CYP2D6RAB9ANPC1
SCHEMBL5308148 0.75 ROCK2 (0.73) ROCK2CYP1A2CYP2D6RAB9ANPC1
SCHEMBL12218261 0.74 RAB9A (0.76) ROCK2CYP1A2CYP2D6RAB9ANPC1
SCHEMBL3500070 0.74 CYP1A2 (1.00) ROCK2CYP1A2CYP2D6RAB9ANPC1
SCHEMBL12218264 0.74 RAB9A (0.76) ROCK2CYP1A2CYP2D6RAB9ANPC1
SCHEMBL10036302 0.74 ROCK2 (0.61) ROCK2CYP1A2CYP2D6RAB9ANPC1

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 14 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 claimed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US claimed
US-20050192304-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-01 US claimed
US-6924290-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-02 US claimed
EP-1470121-A1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-10-27 EP claimed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 US claimed
WO-2003062225-A1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-31 WO claimed
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
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
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 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 (3 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 ROCK2 3/4885CYP1A2 1810/4885CYP2D6 2864/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 ROCK2 5/4885CYP1A2 1660/4885CYP2D6 2301/4885
US-20050192304-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885CYP1A2 1810/4885CYP2D6 2864/4885

“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.