SCHEMBL1298562

SCHEMBL1298562

O=c1[nH]ccc2nc(N3CCOCC3)nc(Nc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.62
TACR2 P21452 1/20 0.53
ZAP70 P43403 7/20 0.53
JAK2 O60674 5/20 0.52
TRPV1 Q8NER1 2/20 0.48
HTR2A P28223 1/20 0.47
SYK P43405 4/20 0.47

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
SCHEMBL1298554 0.91 LRRK2 (0.67) LRRK2TACR2ZAP70JAK2HTR2A
SCHEMBL1298400 0.88 LRRK2 (0.79) LRRK2TACR2JAK2TRPV1SYK
SCHEMBL12103499 0.87 LRRK2 (0.67) LRRK2TACR2JAK2TRPV1SYK
SCHEMBL12103809 0.87 LRRK2 (0.62) LRRK2TACR2ZAP70JAK2HTR2A
Hydrochloric Acid SCHEMBL1298960 0.86 LRRK2 (0.66) LRRK2TACR2JAK2TRPV1SYK
SCHEMBL12103624 0.85 LRRK2 (0.60) LRRK2JAK2TRPV1SYK
Hydrochloric Acid SCHEMBL1298789 0.85 LRRK2 (0.59) LRRK2JAK2TRPV1SYK
SCHEMBL1298351 0.85 LRRK2 (0.66) LRRK2TACR2JAK2SYK
SCHEMBL1298448 0.84 LRRK2 (0.58) LRRK2TACR2ZAP70JAK2TRPV1
SCHEMBL1298764 0.84 LRRK2 (0.60) LRRK2JAK2TRPV1HTR2ASYK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 436/4885TACR2 3488/4885ZAP70 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.