SCHEMBL1298753

SCHEMBL1298753

O=c1[nH]cc(I)c2nc(N3CCC(O)CC3)nc(Nc3ccc(Cl)c(C(F)(F)F)c3)c12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.53
SYK P43405 5/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
IDH2 P48735 1/20 0.40
TACR2 P21452 1/20 0.40
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
BRAF P15056 3/20 0.38
AURKB Q96GD4 1/20 0.37
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1298682 0.86 LRRK2 (0.39) LRRK2SYKJAK2BRAFAURKB
SCHEMBL1298712 0.86 LRRK2 (0.57) LRRK2SYKJAK2JAK1TYK2
SCHEMBL1298717 0.85 LRRK2 (0.72) LRRK2SYKJAK2JAK1TYK2
SCHEMBL12104095 0.79 LRRK2 (0.41) LRRK2SYKIDH2MAPTTRPV1
SCHEMBL1298471 0.79 LRRK2 (0.73) LRRK2SYKIDH2TACR2MAPT
Hydrochloric Acid SCHEMBL1298689 0.79 LRRK2 (0.41) LRRK2SYKIDH2MAPTTRPV1
Hydrochloric Acid SCHEMBL1298687 0.79 LRRK2 (0.41) LRRK2SYKIDH2MAPTTRPV1
SCHEMBL1298739 0.77 LRRK2 (0.61) LRRK2SYKJAK2JAK1TYK2
SCHEMBL12655402 0.74 LRRK2 (0.54) LRRK2SYKJAK2JAK1TYK2
SCHEMBL1299513 0.74 LRRK2 (0.73) LRRK2SYKIDH2TACR2MAPT

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 436/4885SYK 278/4885JAK2 86/4885

“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.