SCHEMBL1298484

SCHEMBL1298484

CC(C)N1CCC(CNc2nc(Nc3ccc(C(F)(F)F)cc3)c3c(=O)[nH]ccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
JAK1 P23458 13/20 0.44
JAK2 O60674 7/20 0.44
TRPV1 Q8NER1 2/20 0.41
BCDIN3D Q7Z5W3 2/20 0.41
TYK2 P29597 1/20 0.41
SLC2A1 P11166 1/20 0.39

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
SCHEMBL1298090 0.91 LRRK2 (0.48) LRRK2JAK1JAK2TRPV1BCDIN3D
SCHEMBL12103610 0.86 LRRK2 (0.46) LRRK2JAK1JAK2TRPV1TYK2
Hydrochloric Acid SCHEMBL1298178 0.85 LRRK2 (0.45) LRRK2JAK1JAK2TRPV1TYK2
SCHEMBL1298221 0.85 LRRK2 (0.45) LRRK2JAK1JAK2TRPV1BCDIN3D
SCHEMBL1299254 0.85 LRRK2 (0.47) LRRK2JAK1JAK2TYK2SLC2A1
SCHEMBL1299256 0.85 LRRK2 (0.47) LRRK2JAK1JAK2TYK2SLC2A1
SCHEMBL1298486 0.81 LRRK2 (0.47) LRRK2JAK1JAK2TYK2
SCHEMBL1299003 0.78 LRRK2 (0.49) LRRK2JAK1JAK2TRPV1SLC2A1
SCHEMBL1299005 0.78 LRRK2 (0.49) LRRK2JAK1JAK2TRPV1SLC2A1
SCHEMBL1298250 0.77 JAK1 (0.48) LRRK2JAK1JAK2BCDIN3DTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US claimed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US claimed
US-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
US-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
US-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
WO-2011053861-A1 KINASE INHIBITORS GENOSCO (US) 2011-05-05 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 (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-20110269739-A1 KINASE INHIBITORS JAK1, LCK, MAP3K20 LRRK2 436/4885JAK1 1/4885JAK2 86/4885

“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.