SCHEMBL20746494

SCHEMBL20746494

OCc1ccnc(N2CCC(F)(F)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.42
▸ SORD Q00796 7/20 0.41
▸ KIF18A Q8NI77 4/20 0.40
▸ ACACB O00763 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ADRB1 P08588 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ PANK3 Q9H999 1/20 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
SCHEMBL20745663 0.85 SORD (0.41) SORDNR1H2AOC3PANK3
SCHEMBL22320566 0.84 ACACB (0.41) SORDKIF18AACACBNR1H2ROCK2
SCHEMBL20745111 0.83 SORD (0.37) TRPV3SORDKIF18AACACBNR1H2
SCHEMBL20745960 0.83 ACACB (0.41) SORDACACBNR1H2ROCK2
SCHEMBL28059125 0.81 ACHE (0.46) SORD
SCHEMBL16815392 0.80 PIK3CA (0.51) SORD
SCHEMBL20745044 0.79 NR1H2 (0.36) SORDKIF18AACACBNR1H2ROCK2
SCHEMBL20746289 0.78 PIK3CA (0.50) SORD
SCHEMBL20745038 0.78 PIK3CA (0.50) SORD
SCHEMBL16815333 0.78 ACHE (0.50) SORD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 — — CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 — — US disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 — — WO 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 TRPV3 4808/4885SORD 4665/4885KIF18A 1490/4885

“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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