SCHEMBL17645458

SCHEMBL17645458

Clc1cc(Oc2c[nH]nc2C2CC2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.33
CYP17A1 P05093 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
RECQL P46063 1/20 0.32
BRAF P15056 1/20 0.32
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL17645420 0.95 PROKR1 (0.32) TGFBR1JAK2JAK1TYK2JAK3
SCHEMBL17645358 0.91 TGFBR1 (0.39) TGFBR1
SCHEMBL17645166 0.86 TGFBR1 (0.34) TGFBR1
SCHEMBL28592067 0.77 BRAF (0.36) RECQLBRAFLOXLOXL3LOXL2
SCHEMBL17156280 0.74 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17645445 0.74 TGFBR1 (0.53) TGFBR1
SCHEMBL17645374 0.73 GHSR (0.33) RECQLBRAFLOXLOXL3LOXL2
SCHEMBL17645182 0.73 BRAF (0.32) BRAFIDO1
SCHEMBL22903621 0.72 IDO1 (0.33) CYP17A1IDO1
SCHEMBL28402453 0.72 ADORA2A (0.40) BRAFIDO1

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 7 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
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 1/4885CYP17A1 3966/4885JAK2 171/4885

“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.