SCHEMBL1298643

SCHEMBL1298643

O=c1[nH]ccc2nc(N3CC[C@H](O)C3)nc(Nc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.91
IDH2 P48735 13/20 0.63
ZAP70 P43403 1/20 0.48
CAMK1D Q8IU85 3/20 0.46
SYK P43405 2/20 0.46
MAP3K7 O43318 1/20 0.46
CSF1R P07333 1/20 0.46
PIM1 P11309 1/20 0.46
MAPK3 P27361 1/20 0.46
MAPK1 P28482 1/20 0.46
BLK P51451 1/20 0.46
RIPK4 P57078 1/20 0.46
CSNK2A1 P68400 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAP2K5 Q13163 1/20 0.46
MAP3K11 Q16584 1/20 0.46
AURKB Q96GD4 1/20 0.46
SLC2A1 P11166 1/20 0.43

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
SCHEMBL1298646 1.00 LRRK2 (0.91) LRRK2IDH2ZAP70CAMK1DSYK
SCHEMBL1299016 1.00 LRRK2 (0.91) LRRK2IDH2ZAP70CAMK1DSYK
SCHEMBL1298107 0.95 LRRK2 (1.00) LRRK2IDH2ZAP70SYKSLC2A1
SCHEMBL1298637 0.92 LRRK2 (0.77) LRRK2IDH2CAMK1DSYK
SCHEMBL1298639 0.92 LRRK2 (0.77) LRRK2IDH2CAMK1DSYK
SCHEMBL12103542 0.90 LRRK2 (0.79) LRRK2IDH2ZAP70CAMK1DSYK
SCHEMBL12103492 0.90 LRRK2 (0.79) LRRK2IDH2ZAP70CAMK1DSYK
Hydrochloric Acid SCHEMBL1298336 0.89 LRRK2 (0.78) LRRK2IDH2ZAP70CAMK1DSYK
Hydrochloric Acid SCHEMBL1299042 0.89 LRRK2 (0.78) LRRK2IDH2ZAP70CAMK1DSYK
Hydrochloric Acid SCHEMBL1298341 0.89 LRRK2 (0.78) LRRK2IDH2ZAP70CAMK1DSYK

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 436/4885IDH2 1117/4885ZAP70 390/4885

“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.