SCHEMBL1326656

SCHEMBL1326656

COc1ccc(Nc2nc(N3CCC(O)CC3)nc3cc[nH]c(=O)c23)cc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.69
SYK P43405 5/20 0.44
JAK2 O60674 3/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
TACR2 P21452 1/20 0.42
BRAF P15056 6/20 0.41
CCR4 P51679 4/20 0.40
IDH2 P48735 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL1326489 0.92 LRRK2 (0.58) LRRK2SYKJAK2JAK1TYK2
SCHEMBL1298616 0.89 LRRK2 (0.65) LRRK2SYKJAK2JAK1TYK2
SCHEMBL1298193 0.87 LRRK2 (0.53) LRRK2SYKJAK2BRAF
SCHEMBL1298858 0.87 LRRK2 (0.53) LRRK2SYKJAK2JAK1BRAF
SCHEMBL1298717 0.87 LRRK2 (0.72) LRRK2SYKJAK2JAK1TYK2
SCHEMBL1299124 0.87 LRRK2 (0.62) LRRK2SYKJAK2JAK1TYK2
SCHEMBL12655408 0.86 LRRK2 (0.61) LRRK2SYKJAK2JAK1TYK2
SCHEMBL1298574 0.85 LRRK2 (0.62) LRRK2SYKJAK2JAK1TYK2
SCHEMBL12106931 0.84 LRRK2 (0.62) LRRK2SYKJAK2JAK1TYK2
SCHEMBL1298748 0.84 LRRK2 (0.68) LRRK2SYKJAK2JAK1TYK2

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 8 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

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 436/4885SYK 278/4885JAK2 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.