SCHEMBL1298712

SCHEMBL1298712

O=c1[nH]cc(I)c2nc(N3CCC(O)CC3)nc(Nc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.57
TACR2 P21452 2/20 0.54
TRPV1 Q8NER1 5/20 0.47
IDH2 P48735 2/20 0.44
SYK P43405 5/20 0.44
JAK1 P23458 5/20 0.44
JAK2 O60674 5/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44

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) LRRK2TACR2TRPV1IDH2SYK
SCHEMBL1298400 0.83 LRRK2 (0.79) LRRK2TACR2TRPV1IDH2SYK
SCHEMBL1298471 0.78 LRRK2 (0.73) LRRK2TACR2IDH2SYK
SCHEMBL1299513 0.78 LRRK2 (0.73) LRRK2TACR2IDH2SYK
SCHEMBL1298560 0.75 LRRK2 (0.84) LRRK2TACR2TRPV1IDH2SYK
SCHEMBL12103499 0.75 LRRK2 (0.67) LRRK2TACR2TRPV1IDH2SYK
SCHEMBL1298351 0.75 LRRK2 (0.66) LRRK2TACR2SYKJAK1JAK2
Hydrochloric Acid SCHEMBL1298960 0.74 LRRK2 (0.66) LRRK2TACR2TRPV1IDH2SYK
SCHEMBL12103666 0.74 LRRK2 (0.65) LRRK2TACR2TRPV1SYKJAK1
SCHEMBL1298107 0.73 LRRK2 (1.00) LRRK2TACR2IDH2SYKJAK1

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-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-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 436/4885TACR2 3488/4885TRPV1 1655/4885

“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.