SCHEMBL3372945

SCHEMBL3372945

Clc1nccc2cc(OC3CC3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 15/20 0.57
ROCK2 O75116 3/20 0.49
KCNH2 Q12809 2/20 0.49
IKBKB O14920 1/20 0.43
PRKACA P17612 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
GRM4 Q14833 1/20 0.40
PRKCZ Q05513 1/20 0.40
ABL1 P00519 1/20 0.39
DYRK1A Q13627 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
SCHEMBL2337348 0.93 ROCK1 (0.54) ROCK1ROCK2KCNH2IKBKBPRKACA
SCHEMBL2337345 0.93 ROCK1 (0.54) ROCK1ROCK2KCNH2IKBKBPRKACA
SCHEMBL8934262 0.90 ROCK1 (0.72) ROCK1ROCK2KCNH2IKBKBPRKACA
Hydrochloric Acid SCHEMBL2500597 0.89 ROCK1 (0.70) ROCK1ROCK2KCNH2IKBKBPRKACA
SCHEMBL26958653 0.87 ROCK1 (0.55) ROCK1ROCK2KCNH2IKBKBPRKCD
Hydrochloric Acid SCHEMBL26928467 0.85 ROCK1 (0.54) ROCK1ROCK2KCNH2IKBKBPRKCD
SCHEMBL26928502 0.85 ROCK1 (0.45) ROCK1ROCK2KCNH2ABL1
SCHEMBL26928507 0.85 ROCK1 (0.45) ROCK1ROCK2KCNH2ABL1
SCHEMBL2333972 0.84 ROCK1 (0.44) ROCK1ROCK2KCNH2ABL1
SCHEMBL4597465 0.84 ROCK1 (0.44) ROCK1ROCK2KCNH2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ROCK1 3835/4885ROCK2 4091/4885KCNH2 4228/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ROCK1 3835/4885ROCK2 4091/4885KCNH2 4228/4885

“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.