SCHEMBL6484704

SCHEMBL6484704

Clc1ncnc2sc(I)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.56
VCAM1 P19320 1/20 0.56
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ADORA3 P0DMS8 5/20 0.32
ADORA2A P29274 5/20 0.32
ADORA1 P30542 2/20 0.32
CHEK1 O14757 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PIP4K2A P48426 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL654782 0.76 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL30408920 0.76 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL1368716 0.76 SELE (0.61) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL4801211 0.72 ALDH1A1 (0.45) SELEVCAM1HTTKMT2ASMN1; SMN2
SCHEMBL3980685 0.72 SELE (0.51) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL10325118 0.72 SELE (0.51) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL4388091 0.72 SELE (0.70) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL15628663 0.72 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL30408264 0.72 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6
SCHEMBL439142 0.72 SELE (0.56) SELEVCAM1HDAC3HDAC1HDAC6

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-10-09 US disclosed
US-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-03-20 US disclosed
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 US disclosed
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2023-12-14 US disclosed
US-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use ABBVIE INC (US) 2023-06-15 US disclosed
EP-3313849-B1 NEW HYDROXYACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2023-02-22 EP disclosed
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2022-08-18 US disclosed
EP-3988555-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2022-04-27 EP disclosed
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
US-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2021-09-23 US disclosed
US-9284334-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2016-03-15 US disclosed
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-06-25 US disclosed
EP-2886545-A1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2015-06-24 EP disclosed
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 CN disclosed
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2014-09-11 US disclosed
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2014-09-11 US disclosed
WO-2012156756-A2 NEW COMPOUNDS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-11-22 WO disclosed
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US disclosed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 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 (10 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 SELE 2251/4885VCAM1 692/4885HDAC3 2923/4885
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 SELE 4102/4885VCAM1 4288/4885HDAC3 4845/4885
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SELE 2232/4885VCAM1 698/4885HDAC3 2911/4885
US-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 SELE 2232/4885VCAM1 698/4885HDAC3 2911/4885
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 SELE 3659/4885VCAM1 4253/4885HDAC3 233/4885
US-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SELE 2232/4885VCAM1 698/4885HDAC3 2911/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SELE 2232/4885VCAM1 698/4885HDAC3 2911/4885
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 SELE 3729/4885VCAM1 3968/4885HDAC3 3786/4885
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SELE 2251/4885VCAM1 692/4885HDAC3 2923/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SELE 2232/4885VCAM1 698/4885HDAC3 2911/4885

“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.