SCHEMBL1454701

SCHEMBL1454701

CC(C)c1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.63
▸ CHEK1 O14757 2/20 0.63
▸ PIM1 P11309 2/20 0.63
▸ RPS6KA3 P51812 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.58
▸ PDPK1 O15530 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ TNKS2 Q9H2K2 1/20 0.51
▸ KDM4A O75164 1/20 0.47
▸ KDM4B O94953 1/20 0.47
▸ KDM5C P41229 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ KDM5B Q9UGL1 1/20 0.47
▸ KDM3A Q9Y4C1 1/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47

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
SCHEMBL8184391 0.87 PARP1 (0.63) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL21089732 0.84 PARP1 (0.56) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL6435426 0.78 PARP1 (0.53) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL1690531 0.77 PARP1 (1.00) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL29967230 0.77 PARP1 (1.00) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL28223920 0.76 PARP1 (0.54) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL16538688 0.76 PARP1 (0.58) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL5526838 0.75 MAPT (0.42) ALDH1A1
SCHEMBL24819 0.74 PARP1 (0.74) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL643424 0.74 ALDH1A1 (1.00) PARP1CHEK1PIM1RPS6KA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 — — US disclosed
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 — — WO disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 — — US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 — — US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 — — US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 — — US disclosed
WO-2023088425-A1 15-PGDH INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-05-25 — — WO disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — WO disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 — — US disclosed
US-20200369667-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. 2020-11-26 — — US disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 — — US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 — — EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 — — US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 — — US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 — — EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 — — WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — 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 (8 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PARP1 1805/4885CHEK1 3957/4885PIM1 2963/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 PARP1 1806/4885CHEK1 501/4885PIM1 149/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 PARP1 2016/4885CHEK1 674/4885PIM1 146/4885
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 PARP1 2960/4885CHEK1 2628/4885PIM1 1309/4885
US-20200369667-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 PARP1 235/4885CHEK1 260/4885PIM1 118/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PARP1 1805/4885CHEK1 3957/4885PIM1 2963/4885
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 PARP1 2739/4885CHEK1 4566/4885PIM1 3715/4885
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D PARP1 2576/4885CHEK1 2987/4885PIM1 1494/4885

“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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