SCHEMBL17038115

SCHEMBL17038115

CN1CCC(NC(=O)c2cccc(-c3nccc(Nc4ccc(N)c(C=N)c4)n3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 10/20 0.67
▸ ROCK1 Q13464 5/20 0.53
▸ ATR Q13535 1/20 0.49
▸ CDK2 P24941 8/20 0.47
▸ CCNE1 P24864 7/20 0.47
▸ IGF1R P08069 1/20 0.44
▸ CCNT1 O60563 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK9 P50750 1/20 0.43

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
SCHEMBL24464193 0.89 ROCK2 (0.66) ROCK2ROCK1ATRCDK2CCNE1
SCHEMBL21451348 0.89 ROCK2 (0.67) ROCK2ROCK1CDK2CCNE1
SCHEMBL24464163 0.88 ROCK2 (0.53) ROCK2ROCK1CDK2CCNE1IGF1R
SCHEMBL24464148 0.87 ROCK2 (0.53) ROCK2ROCK1CDK2CCNE1
SCHEMBL24464173 0.83 NPC1 (0.50) ROCK2ROCK1
SCHEMBL24862335 0.82 KDR (0.44) ROCK2ROCK1
SCHEMBL24464147 0.80 ROCK1 (0.57) ROCK2ROCK1
SCHEMBL24464202 0.80 ROCK2 (0.53) ROCK2ROCK1ATR
SCHEMBL17041185 0.80 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL19592078 0.79 ROCK2 (0.66) ROCK2ROCK1ATRCDK2CCNE1

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-20150238601-A1 TREATMENT OF OCULAR DISORDERS KADMON CORPORATION, LLC 2015-08-27 — — US disclosed
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS KADMON CORPORATION, LLC 2015-08-27 — — 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-20150238601-A1 TREATMENT OF OCULAR DISORDERS ROCK2, KDR, FLT1 ROCK2 1/4885ROCK1 5/4885ATR 1202/4885

“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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