SCHEMBL17645463

SCHEMBL17645463

O=C(COc1ccnc(Cl)c1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ RECQL P46063 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ TAS1R2 Q8TE23 2/20 0.36
▸ ATF4 P18848 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ SMARCA2 P51531 2/20 0.35
▸ SMARCA4 P51532 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PROKR1 Q8TCW9 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ LOX P28300 1/20 0.34
▸ LOXL3 P58215 1/20 0.34

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
SCHEMBL17645361 0.94 TAS1R3 (0.39) NPC1RAB9ARECQLEPHX1TAS1R3
SCHEMBL28404379 0.92 TACR1 (0.41) NPC1RAB9AMEN1KMT2A
SCHEMBL17645367 0.90 FKBP1A (0.39) NPC1RAB9AEPHX1SMN1; SMN2
SCHEMBL17658800 0.85 PIP5K1C (0.38) ATF4
Trifluoroacetic Acid SCHEMBL30619319 0.84 TACR1 (0.41) —
SCHEMBL28400919 0.83 GSK3B (0.38) NPC1RAB9APROKR1SMN1; SMN2
SCHEMBL28398406 0.81 STS (0.48) NPC1RAB9A
SCHEMBL14484808 0.79 MCL1 (0.54) RECQLMCL1KMT2A
SCHEMBL17645416 0.78 MCL1 (0.40) RECQLSMARCA2SMARCA4MCL1MEN1
SCHEMBL15552719 0.78 MCL1 (0.53) RECQLMCL1KMT2A

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 NPC1 4477/4885RAB9A 3279/4885RECQL 4719/4885

“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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