SCHEMBL10041745

SCHEMBL10041745

CC1(C)OB(c2ccc(C#N)cc2Cl)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.37
VCAM1 P19320 1/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ESR2 Q92731 1/20 0.33
PDE4B Q07343 2/20 0.32
JAK2 O60674 1/20 0.32
BTK Q06187 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHRM1 P11229 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
PDE1A P54750 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL31058250 1.00 AR (0.37) ARVCAM1PDK1PDK2PDK3
SCHEMBL931715 0.82 CYP2A6 (0.35) ARESR2PDE4BCYP11B2CHRM1
SCHEMBL30101113 0.82 CYP2A6 (0.35) ARESR2PDE4BCYP11B2CHRM1
SCHEMBL12069815 0.81 AR (0.33) ARVCAM1PDK1PDK2PDK3
SCHEMBL30372881 0.81 ALDH1A1 (0.36) ESR2PDE4BCHRM1PDE4AADRA1A
SCHEMBL15549421 0.81 LPL (0.37) ESR2JAK2BTKCYP11B2LPL
SCHEMBL22637023 0.81 ALDH1A1 (0.36) ESR2PDE4BCHRM1PDE4AADRA1A
SCHEMBL29358185 0.81 CYP11B2 (0.38) ESR2PDE4BJAK2BTKCYP11B2
SCHEMBL156525 0.81 CYP11B2 (0.38) ESR2PDE4BJAK2BTKCYP11B2
SCHEMBL13868337 0.81 VCAM1 (0.31) VCAM1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078119-A1 DEGRADER COMPOUNDS AND USES THEREOF BRISTOL MYERS SQUIBB CO (US) 2026-03-19 US disclosed
EP-4688771-A1 NOVEL FAK DEGRADER COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2026-02-11 EP disclosed
US-20250368667-A1 USP1 INHIBITOR SHANGHAI QILU PHARMACEUTICAL RES AND DEVELOPMENT CENTRE LTD (CN) 2025-12-04 US disclosed
EP-4582427-A1 USP1 INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2025-07-09 EP disclosed
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US disclosed
EP-4288431-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2023-12-13 EP disclosed
WO-2022167682-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-08-11 WO disclosed
US-11021484-B2 Compound including nitrogen and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-01 US disclosed
EP-3460863-A1 COMPOUND INCLUDING NITROGEN AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-03-27 EP disclosed
US-20190084992-A1 COMPOUND INCLUDING NITROGEN AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-21 US disclosed
US-20130274243-A1 Chemical Compounds PFIZER LTD (GB) 2013-10-17 US disclosed
WO-2013114250-A1 BENZIIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER INC. (US) 2013-08-08 WO disclosed
US-20130096141-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2013-04-18 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
WO-2011159657-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2011-12-22 WO disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 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 (9 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-20130096141-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR139 AR 949/4885VCAM1 2175/4885PDK1 896/4885
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 AR 3737/4885VCAM1 2610/4885PDK1 1286/4885
US-20190084992-A1 COMPOUND INCLUDING NITROGEN AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME OR10J3, L1CAM, NOS1 AR 3042/4885VCAM1 1842/4885PDK1 3895/4885
US-20130274243-A1 Chemical Compounds SCN8A, SCN5A, KCNJ8 AR 3211/4885VCAM1 2812/4885PDK1 1763/4885
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 AR 3579/4885VCAM1 4048/4885PDK1 3468/4885
US-20260078119-A1 DEGRADER COMPOUNDS AND USES THEREOF CTTN, SRC, PTK2 AR 121/4885VCAM1 1671/4885PDK1 1924/4885
US-20250368667-A1 USP1 INHIBITOR USP1, USP2, USP28 AR 4019/4885VCAM1 3809/4885PDK1 1242/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 AR 3579/4885VCAM1 4048/4885PDK1 3468/4885
US-11021484-B2 Compound including nitrogen and organic electroluminescence device including the same OR10J3, L1CAM, NOS1 AR 3042/4885VCAM1 1842/4885PDK1 3895/4885

“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.