SCHEMBL20742393

SCHEMBL20742393

COC(OC)c1ccnc(-c2ccncc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LATS1 O95835 4/20 0.39
▸ S1PR1 P21453 3/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ LATS2 Q9NRM7 2/20 0.36
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 3/20 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
SCHEMBL16815686 0.76 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL16815718 0.75 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL10509342 0.73 LATS1 (0.40) LATS1S1PR1S1PR3PDE2APDE4A
SCHEMBL16815687 0.72 MAPT (0.52) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL16815681 0.72 KMT2A (0.49) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20742372 0.72 KMT2A (0.49) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL16815482 0.72 CYP1A2 (0.58) SMN1; SMN2KMT2AMAPTRAB9ATDP1
SCHEMBL2751610 0.70 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL20742185 0.70 LATS1 (0.39) LATS1S1PR1S1PR3LATS2CCNC
SCHEMBL20742551 0.70 LATS1 (0.39) LATS1S1PR1S1PR3PDE2APDE4A

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
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2022-08-18 — — US disclosed
US-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2021-09-23 — — US disclosed
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 — — CN disclosed
CN-112533598-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-03-19 — — 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
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use AbbVie Deutschland GmbH & Co. KG (DE) 2019-02-21 — — US 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 (4 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-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SMN1; SMN2 609/4885KMT2A 1375/4885MAPT 4499/4885
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 SMN1; SMN2 609/4885KMT2A 1375/4885MAPT 4499/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SMN1; SMN2 609/4885KMT2A 1375/4885MAPT 4499/4885
US-20220259226-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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