SCHEMBL12106923

SCHEMBL12106923

NC1CCN(c2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.71
IDH2 P48735 2/20 0.49
CAMK1D Q8IU85 10/20 0.44
SYK P43405 5/20 0.43
ZAP70 P43403 1/20 0.41
JAK2 O60674 4/20 0.41
TACR2 P21452 1/20 0.40
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 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
Hydrochloric Acid SCHEMBL1298260 0.99 LRRK2 (0.70) LRRK2IDH2CAMK1DSYKZAP70
SCHEMBL12103817 0.94 LRRK2 (0.66) LRRK2IDH2CAMK1DSYKZAP70
SCHEMBL12103478 0.92 LRRK2 (0.85) LRRK2IDH2CAMK1DSYKZAP70
SCHEMBL1298560 0.91 LRRK2 (0.84) LRRK2IDH2CAMK1DSYKJAK2
SCHEMBL12103499 0.91 LRRK2 (0.67) LRRK2IDH2SYKJAK2TACR2
Hydrochloric Acid SCHEMBL1298649 0.91 LRRK2 (0.83) LRRK2IDH2CAMK1DSYKZAP70
Hydrochloric Acid SCHEMBL1298960 0.90 LRRK2 (0.66) LRRK2IDH2SYKJAK2TACR2
SCHEMBL1298427 0.89 LRRK2 (0.69) LRRK2IDH2CAMK1DSYKZAP70
SCHEMBL12106859 0.88 LRRK2 (0.68) LRRK2IDH2SYKZAP70JAK2
SCHEMBL1298422 0.88 LRRK2 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 436/4885IDH2 1117/4885CAMK1D 518/4885

“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.