SCHEMBL4499726

SCHEMBL4499726

CC(C)C(N)c1nn(-c2ccccc2Cl)c(=O)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.42
▸ CNR1 P21554 2/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL4490611 0.85 ROCK2 (0.53) ROCK2HPGDCYP3A4
SCHEMBL13963463 0.81 HPGD (0.43) ROCK2HPGDCYP3A4
SCHEMBL4056161 0.72 PDE1B (0.39) KDM4EKDM4AALDH1A1HPGDTSHR
SCHEMBL4056155 0.72 PDE1B (0.39) KDM4EKDM4AALDH1A1HPGDTSHR
SCHEMBL4051429 0.71 HPGD (0.43) ADORA2AKDM4EKDM4AALDH1A1HPGD
SCHEMBL4050365 0.71 HPGD (0.43) ADORA2AKDM4EKDM4AALDH1A1HPGD
SCHEMBL4050872 0.71 HPGD (0.43) ADORA2AKDM4EKDM4AALDH1A1HPGD
SCHEMBL4000261 0.70 ADORA3 (0.38) ROCK2KDM4EKDM4AALDH1A1HPGD
SCHEMBL14563447 0.69 ALDH1A1 (0.47) ALDH1A1HPGDTSHRNPSR1CYP3A4
SCHEMBL14408874 0.69 KDM4E (0.47) KDM4EALDH1A1HPGDTSHRNPSR1

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 5 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
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 2250/4885CNR1 4070/4885ADORA2A 4377/4885

“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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