SCHEMBL13819909

SCHEMBL13819909

CC(C)(C)Cc1nccc(OCC2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.47
▸ LRRK2 Q5S007 13/20 0.41
▸ NUDT1 P36639 1/20 0.40
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ EP300 Q09472 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL13827599 0.87 LRRK2 (0.41) RIPK1LRRK2CCNA2CDK2CCNA1
SCHEMBL17029319 0.83 LRRK2 (0.43) LRRK2CCNA2CDK2CCNA1EP300
SCHEMBL13827779 0.80 LRRK2 (0.42) LRRK2CCNA2CDK2CCNA1EP300
SCHEMBL13819913 0.79 NUDT1 (0.43) NUDT1
SCHEMBL18888380 0.76 LRRK2 (0.45) LRRK2CCNA2CDK2CCNA1FFAR4
SCHEMBL19510667 0.74 LRRK2 (0.43) LRRK2CCNA2CDK2CCNA1FFAR4
SCHEMBL28019841 0.73 KCNH2 (0.39) RIPK1LRRK2
SCHEMBL15677581 0.73 LRRK2 (0.41) LRRK2CCNA2CDK2CCNA1EP300
SCHEMBL22834474 0.72 NUDT1 (0.53) LRRK2NUDT1CCNA2CDK2CCNA1
SCHEMBL28020350 0.71 PDE2A (0.51) LRRK2NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 — — US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 — — US disclosed
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-11-19 — — US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 — — US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — 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 (3 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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 RIPK1 2773/4885LRRK2 1834/4885NUDT1 1865/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 RIPK1 2773/4885LRRK2 1834/4885NUDT1 1865/4885
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 RIPK1 2773/4885LRRK2 1834/4885NUDT1 1865/4885

“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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