SCHEMBL1298682

SCHEMBL1298682

O=c1[nH]cc(I)c2nc(N3CCC(O)(CO)CC3)nc(Nc3ccc(Cl)c(C(F)(F)F)c3)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
BRAF P15056 7/20 0.35
SYK P43405 4/20 0.34
AURKB Q96GD4 1/20 0.34
KDR P35968 2/20 0.34
TEK Q02763 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
BCL6 P41182 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL1298753 0.86 LRRK2 (0.53) LRRK2BRAFSYKAURKBMEN1
SCHEMBL1298402 0.86 LRRK2 (0.55) LRRK2SYKJAK2
SCHEMBL1298156 0.79 WHR1 (0.39) LRRK2BRAF
SCHEMBL1298259 0.76 LRRK2 (0.55) LRRK2BRAFSYKAURKB
SCHEMBL1298858 0.74 LRRK2 (0.53) LRRK2BRAFSYKJAK2
SCHEMBL1298652 0.74 LRRK2 (0.51) LRRK2SYKJAK2
SCHEMBL1298739 0.73 LRRK2 (0.61) LRRK2SYKJAK2
SCHEMBL1298712 0.72 LRRK2 (0.57) LRRK2SYKJAK2
SCHEMBL1298717 0.72 LRRK2 (0.72) LRRK2SYKJAK2
SCHEMBL12655398 0.72 SRC (0.44) LRRK2MEN1KMT2AJAK2

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 436/4885BRAF 52/4885SYK 278/4885

“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.