SCHEMBL17645461

SCHEMBL17645461

CC(C)n1cc(Oc2ccnc(Nc3cccnn3)c2)c(-c2ccccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.44
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 1/20 0.33
KCNN1 Q92952 1/20 0.32
KCNN2 Q9H2S1 1/20 0.32
KCNN3 Q9UGI6 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL17645437 0.90 TGFBR1 (0.44) TGFBR1JAK2JAK1TYK2JAK3
SCHEMBL17645176 0.82 TGFBR1 (0.48) TGFBR1KCNN1KCNN2KCNN3
SCHEMBL17645418 0.80 TGFBR1 (0.50) TGFBR1
SCHEMBL17645387 0.80 TGFBR1 (0.41) TGFBR1
SCHEMBL17645217 0.80 TGFBR1 (0.46) TGFBR1
SCHEMBL17645210 0.79 TGFBR1 (0.60) TGFBR1
SCHEMBL17658806 0.79 TGFBR1 (0.54) TGFBR1
SCHEMBL17645243 0.79 TGFBR1 (0.46) TGFBR1
SCHEMBL17645226 0.78 TGFBR1 (0.49) TGFBR1
SCHEMBL17645163 0.78 TGFBR1 (0.37) TGFBR1

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
EP-3204377-B1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS LILLY CO ELI (US) 2018-09-26 EP disclosed
US-9617243-B2 Aminopyridyloxypyrazole compounds ELI LILLY AND COMPANY (US) 2017-04-11 US disclosed
US-9617243-B2 Aminopyridyloxypyrazole compounds ELI LILLY AND COMPANY (US) 2017-04-11 US disclosed
US-9617243-B2 Aminopyridyloxypyrazole compounds ELI LILLY AND COMPANY (US) 2017-04-11 US disclosed
WO-2016057278-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2016-04-14 WO disclosed
US-20160096823-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS LILLY CO ELI (US) 2016-04-07 US disclosed
US-20160096823-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS LILLY CO ELI (US) 2016-04-07 US disclosed
US-20160096823-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS LILLY CO ELI (US) 2016-04-07 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-20160096823-A1 AMINOPYRIDYLOXYPYRAZOLE COMPOUNDS TGFBR1, TGFBR2, PDGFRB TGFBR1 1/4885JAK2 171/4885JAK1 843/4885

“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.