SCHEMBL20042170

SCHEMBL20042170

Cc1cc(Nc2ccc(C#N)cc2)nc(N2CCNCC2C)n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.66
▸ ROCK1 Q13464 9/20 0.66
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41

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
Hydrochloric Acid SCHEMBL18153282 0.99 ROCK2 (0.64) ROCK2ROCK1ABCG2LMNAMAPT
SCHEMBL20042168 0.87 ROCK2 (0.68) ROCK2ROCK1LMNAMAPT
Hydrochloric Acid SCHEMBL18153316 0.86 ROCK2 (0.67) ROCK2ROCK1LMNAMAPT
SCHEMBL18153406 0.83 ROCK2 (0.62) ROCK2ROCK1ABCG2LMNAMAPT
Hydrochloric Acid SCHEMBL23197968 0.82 ROCK2 (0.61) ROCK2ROCK1ABCG2LMNAMAPT
SCHEMBL18162449 0.82 ABCG2 (0.47) ROCK2ROCK1ABCG2LMNAMAPT
SCHEMBL20774647 0.79 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20042169 0.77 ABCG2 (0.47) ROCK2ROCK1ABCG2LMNAMAPT
Hydrochloric Acid SCHEMBL18153287 0.77 ABCG2 (0.47) ROCK2ROCK1ABCG2LMNAMAPT
Hydrochloric Acid SCHEMBL18153427 0.75 ROCK1 (0.56) ROCK2ROCK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 — — 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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS ROCK2 2833/4885ROCK1 2890/4885ABCG2 4610/4885

“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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