SCHEMBL20742372

SCHEMBL20742372

COC(OC)c1ccnc(-c2ccccc2I)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP1A2 P05177 14/20 0.38
▸ CYP3A4 P08684 10/20 0.38
▸ CYP2D6 P10635 8/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP2C19 P33261 10/20 0.35
▸ TSHR P16473 4/20 0.35
▸ USP2 O75604 3/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ GLA P06280 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL16815687 0.82 MAPT (0.52) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL16815482 0.82 CYP1A2 (0.58) KMT2AMAPTSMN1; SMN2RAB9ACYP1A2
SCHEMBL16815681 0.82 KMT2A (0.49) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL20742511 0.78 KMT2A (0.46) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL18342623 0.78 KMT2A (0.46) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL20742657 0.77 KMT2A (0.48) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL16815697 0.77 CYP1A2 (0.50) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL18342624 0.76 KMT2A (0.44) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL16815503 0.75 MAPT (0.54) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL20742393 0.72 SMN1; SMN2 (0.46) KMT2AMAPTSMN1; SMN2RAB9AL3MBTL1

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 10 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-3668503-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP 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-2019035899-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 — — WO 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 KMT2A 1375/4885MAPT 4499/4885SMN1; SMN2 609/4885
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 KMT2A 1375/4885MAPT 4499/4885SMN1; SMN2 609/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 KMT2A 1375/4885MAPT 4499/4885SMN1; SMN2 609/4885
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 KMT2A 1375/4885MAPT 4499/4885SMN1; SMN2 609/4885

“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.

Send feedback