SCHEMBL20745566

SCHEMBL20745566

COC(OC)c1ccnc(-c2ccc(C(F)F)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ KMT2A Q03164 9/20 0.56
▸ MAPT P10636 4/20 0.56
▸ RAB9A P51151 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ SCN9A Q15858 1/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ MEN1 O00255 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.34
▸ TRPV3 Q8NET8 3/20 0.34
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2E1 P05181 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP4B1 P13584 1/20 0.33

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
SCHEMBL20745651 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20745058 0.81 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL16816242 0.81 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL16815686 0.81 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20513851 0.75 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL23657556 0.74 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL16815495 0.74 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL16815276 0.73 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL16815718 0.73 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20745064 0.72 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1

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 SMN1; SMN2 609/4885KMT2A 1375/4885MAPT 4499/4885

“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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