SCHEMBL4490611

SCHEMBL4490611

CC(C)C(N)c1nn(-c2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.53
▸ LMNA P02545 2/20 0.43
▸ RGS4 P49798 1/20 0.40
▸ RGS8 P57771 1/20 0.40
▸ CTSK P43235 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL4499726 0.85 ROCK2 (0.42) ROCK2HPGDCYP3A4
SCHEMBL13963463 0.85 HPGD (0.43) ROCK2ADORA3ADORA1HPGDCYP3A4
SCHEMBL13963457 0.82 ROCK2 (0.51) ROCK2LMNARGS4RGS8CTSK
SCHEMBL4497212 0.78 ROCK2 (0.46) ROCK2LMNARGS4RGS8CTSK
SCHEMBL13973864 0.74 ROCK2 (0.48) ROCK2CTSKCYP3A4CYP2C9
SCHEMBL14280878 0.73 HPGD (0.43) RGS4RGS8ADORA3HPGDCYP3A4
SCHEMBL14563447 0.73 ALDH1A1 (0.47) LMNAHPGDCYP3A4KMT2ACCNB2
SCHEMBL4051429 0.72 HPGD (0.43) LMNAADORA3ADORA1HPGDCYP3A4
SCHEMBL4050872 0.72 HPGD (0.43) LMNAADORA3ADORA1HPGDCYP3A4
SCHEMBL4050365 0.72 HPGD (0.43) LMNAADORA3ADORA1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476743-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-01-13 — — US disclosed
US-7476743-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-01-13 — — US disclosed
US-7476743-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-01-13 — — US disclosed
EP-1558588-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-11-02 — — EP disclosed
US-20060189671-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-08-24 — — US disclosed
EP-1558588-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-08-03 — — EP disclosed
WO-2004032840-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-04-22 — — 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 (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-20060189671-A1 Compounds, compositions, and methods TK1, TK2, TYMP ROCK2 2250/4885LMNA 1086/4885RGS4 3503/4885

“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.

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