SCHEMBL12801969

SCHEMBL12801969

COc1nn(CC(F)F)cc1Nc1ncc2cn[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.39
MAP3K14 Q99558 5/20 0.38
TTK P33981 1/20 0.37
JAK2 O60674 5/20 0.35
JAK1 P23458 5/20 0.35
CYP1A2 P05177 1/20 0.33

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
SCHEMBL26643574 0.76 MAP3K14 (0.43) LRRK2MAP3K14TTKJAK2JAK1
SCHEMBL30644402 0.76 MAP3K14 (0.43) LRRK2MAP3K14TTKJAK2JAK1
SCHEMBL12795371 0.76 JAK3 (0.40) LRRK2TTKCYP1A2
SCHEMBL2591069 0.74 JAK3 (0.48) MAP3K14
SCHEMBL12797397 0.72 TTK (0.38) LRRK2MAP3K14TTKJAK2JAK1
SCHEMBL12797299 0.72 JAK3 (0.35) LRRK2MAP3K14TTKJAK2JAK1
SCHEMBL1662817 0.71 EIF2AK4 (0.45) LRRK2TTK
SCHEMBL2122067 0.71 GLO1 (0.55) LRRK2
SCHEMBL31691121 0.70 MAP3K14 (0.41) LRRK2MAP3K14TTK
SCHEMBL30644467 0.70 MAP3K14 (0.39) LRRK2MAP3K14TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 LRRK2 2904/4885MAP3K14 189/4885TTK 844/4885

“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.