SCHEMBL17645361

SCHEMBL17645361

O=C(COc1ccnc(Cl)c1)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ TAS1R2 Q8TE23 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ATF4 P18848 2/20 0.35

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
SCHEMBL17645463 0.94 NPC1 (0.41) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL28404379 0.89 TACR1 (0.41) NPC1RAB9AKMT2AMEN1
SCHEMBL17645367 0.88 FKBP1A (0.39) NPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL17658800 0.83 PIP5K1C (0.38) ATF4
Trifluoroacetic Acid SCHEMBL30619319 0.81 TACR1 (0.41) —
SCHEMBL28400919 0.81 GSK3B (0.38) NPC1RAB9ASMN1; SMN2L3MBTL1PROKR1
SCHEMBL28398406 0.79 STS (0.48) NPC1RAB9A
SCHEMBL14484808 0.77 MCL1 (0.54) KMT2AL3MBTL1RECQLTDP1ALDH1A1
SCHEMBL27809680 0.77 KMT2A (0.53) TAS1R3TAS1R1TAS1R2KMT2ASMN1; SMN2
SCHEMBL15552719 0.75 MCL1 (0.53) KMT2AL3MBTL1RECQLTDP1ALDH1A1

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 TAS1R3 1767/4885TAS1R1 1780/4885TAS1R2 2335/4885

“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.

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