SCHEMBL1298221

SCHEMBL1298221

O=c1[nH]ccc2nc(NCC3CCOCC3)nc(Nc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.45
ZAP70 P43403 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
KCNH3 Q9ULD8 1/20 0.43
JAK1 P23458 11/20 0.42
JAK2 O60674 8/20 0.42
BCDIN3D Q7Z5W3 1/20 0.41
FLT3 P36888 1/20 0.41
SLC2A1 P11166 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 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
SCHEMBL12103610 0.90 LRRK2 (0.46) LRRK2TRPV1JAK1JAK2FLT3
Hydrochloric Acid SCHEMBL1298178 0.89 LRRK2 (0.45) LRRK2TRPV1JAK1JAK2FLT3
SCHEMBL1298090 0.88 LRRK2 (0.48) LRRK2ZAP70TRPV1JAK1JAK2
SCHEMBL1299022 0.86 SLC2A1 (0.48) LRRK2ZAP70TRPV1JAK1JAK2
SCHEMBL1298484 0.85 LRRK2 (0.46) LRRK2TRPV1JAK1JAK2BCDIN3D
SCHEMBL1298446 0.81 SLC2A1 (0.51) LRRK2TRPV1JAK1JAK2FLT3
SCHEMBL12103903 0.80 ZAP70 (0.51) LRRK2ZAP70JAK2
Hydrochloric Acid SCHEMBL1298447 0.79 ZAP70 (0.51) LRRK2ZAP70JAK2
SCHEMBL1298387 0.79 SLC2A1 (0.54) LRRK2JAK1JAK2SLC2A1
SCHEMBL1298683 0.79 NTRK1 (0.46) LRRK2ZAP70KCNH3JAK1JAK2

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 436/4885ZAP70 390/4885TRPV1 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.