SCHEMBL14935459

SCHEMBL14935459

O=C1N=C2C(=C1NCCCc1ccccc1)c1ccc(N3CCSCC3)c3cccc2c13

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 10/20 0.58
▸ BCL2 P10415 9/20 0.58
▸ BCL2L1 Q07817 4/20 0.58
▸ BID P55957 1/20 0.42
▸ ACHE P22303 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP1B1 Q16678 2/20 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
SCHEMBL14935379 0.88 BCL2 (0.62) MCL1BCL2BCL2L1BIDMEN1
SCHEMBL14935214 0.78 FGFR1 (0.45) MCL1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL14935395 0.77 MCL1 (0.43) MCL1BCL2BCL2L1KMT2AGRM2
SCHEMBL29523330 0.77 MCL1 (0.43) MCL1BCL2BCL2L1KMT2AGRM2
SCHEMBL14935393 0.74 MCL1 (0.58) MCL1BCL2BCL2L1
SCHEMBL19420207 0.73 MCL1 (0.81) MCL1BCL2BCL2L1BID
SCHEMBL14935257 0.73 MCL1 (1.00) MCL1BCL2BCL2L1BID
SCHEMBL29523407 0.72 MCL1 (0.60) MCL1BCL2BCL2L1MEN1KMT2A
SCHEMBL14463541 0.65 MCL1 (0.62) MCL1BCL2BCL2L1BIDMEN1
SCHEMBL14935312 0.64 FGFR1 (0.50) MCL1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614333-B2 Acenaphtho heterocyclic compound and application thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-12-24 — — US claimed
US-20130123492-A1 ACENAPHTHO HETEROCYCLIC COMPOUND AND APPLICATION THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-05-16 — — US claimed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 — — US disclosed
US-20220088013-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2022-03-24 — — US disclosed
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2021-11-09 — — US disclosed
US-20180250298-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA BV (NL) 2018-09-06 — — US disclosed
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2017-08-17 — — US disclosed
EP-3179991-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, AND/OR A BCL-2 INHIBITOR Acerta Pharma B.V. (NL) 2017-06-21 — — EP disclosed
WO-2016024230-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, AND/OR A BCL-2 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 — — WO disclosed
US-8614333-B2 Acenaphtho heterocyclic compound and application thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-12-24 — — US disclosed
US-20130123492-A1 ACENAPHTHO HETEROCYCLIC COMPOUND AND APPLICATION THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-05-16 — — US disclosed
US-20130123492-A1 ACENAPHTHO HETEROCYCLIC COMPOUND AND APPLICATION THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-05-16 — — 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 (6 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-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 MCL1 30/4885BCL2 7/4885BCL2L1 26/4885
US-20130123492-A1 ACENAPHTHO HETEROCYCLIC COMPOUND AND APPLICATION THEREOF MCL1, BCL2L1, BCL2 MCL1 1/4885BCL2 3/4885BCL2L1 2/4885
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 MCL1 30/4885BCL2 7/4885BCL2L1 26/4885
US-20220088013-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 MCL1 30/4885BCL2 7/4885BCL2L1 26/4885
US-20180250298-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 MCL1 30/4885BCL2 7/4885BCL2L1 26/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 MCL1 30/4885BCL2 7/4885BCL2L1 26/4885

“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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