SCHEMBL13106902

SCHEMBL13106902

CCN1CCCC(Nc2ccc3nn(C)cc3c2)C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.53
ROCK1 Q13464 8/20 0.53
CAMK2D Q13557 1/20 0.46
ITK Q08881 1/20 0.46
CCR2 P41597 4/20 0.45

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
SCHEMBL13106872 0.83 KDM4E (0.52) ROCK2ROCK1
SCHEMBL13106900 0.77 ROCK2 (0.55) ROCK2ROCK1CCR2
SCHEMBL3312172 0.76 ROCK2 (0.53) ROCK2ROCK1ITKCCR2
SCHEMBL3313228 0.76 ROCK2 (0.53) ROCK2ROCK1ITKCCR2
SCHEMBL14077547 0.75 KDM4E (0.50)
SCHEMBL13122256 0.75 ROCK2 (0.84) ROCK2ROCK1CCR2
SCHEMBL5413101 0.74 KDM4E (0.49)
SCHEMBL14077546 0.74 KDM4E (0.49)
SCHEMBL5408219 0.74 ROCK2 (0.59) ROCK2ROCK1ITKCCR2
SCHEMBL14824601 0.73 ROCK2 (0.49) ROCK2ROCK1CAMK2DITKCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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 (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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 ROCK2 3079/4885ROCK1 3410/4885CAMK2D 3751/4885

“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.