SCHEMBL64988

SCHEMBL64988

COC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ATR Q13535 1/20 0.51
NAMPT P43490 1/20 0.49
CYP17A1 P05093 2/20 0.45
PSMB8 P28062 1/20 0.43
MAPKAPK2 P49137 5/20 0.43
MAP4K4 O95819 1/20 0.43
TRPA1 O75762 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL5153340 0.93 NAMPT (0.50) MAPK1ATRNAMPTCYP17A1PSMB8
SCHEMBL2012546 0.87 NAMPT (0.50) ATRNAMPTCYP17A1PSMB8MAPKAPK2
SCHEMBL29929054 0.87 P4HTM (0.54) MAPK1NAMPTCYP17A1KDM4EL3MBTL1
SCHEMBL1734048 0.87 P4HTM (0.54) MAPK1NAMPTCYP17A1KDM4EL3MBTL1
SCHEMBL1810634 0.86 NAMPT (0.45) ATRNAMPTCYP17A1MAPKAPK2KDM4E
SCHEMBL11390294 0.86 MAPK1 (0.59) MAPK1KDM4EL3MBTL1
SCHEMBL19470129 0.85 NAMPT (0.49) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL20828515 0.84 NAMPT (0.51) ATRNAMPTCYP17A1PSMB8MAPKAPK2
SCHEMBL30602659 0.84 NAMPT (0.51) ATRNAMPTCYP17A1PSMB8MAPKAPK2
SCHEMBL20934803 0.83 NAMPT (0.47) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745129-A2 COMPOUND HAVING CYCLIC STRUCTURE Daiichi Sankyo Company, Limited (JP) 2026-05-20 EP disclosed
EP-3682881-B1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO CO LTD (JP) 2026-04-01 EP disclosed
US-12297187-B2 Compound having cyclic structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-05-13 US disclosed
US-20250134869-A1 Pyrrolo[2,3-d]pyrimidinyl, Pyrrolo[2,3-b]pyrazinyl and Pyrrolo[2,3-d]pyridinyl Acryla-mides PFIZER INC (US) 2025-05-01 US disclosed
US-12258355-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2025-03-25 US disclosed
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP disclosed
US-12077533-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides PFIZER INC. (US) 2024-09-03 US disclosed
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 US disclosed
CN-111094255-B Compounds having cyclic structures 第一三共株式会社 2023-10-03 CN disclosed
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2006051270-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS P13K INHIBITORS ASTRAZENECA AB (SE) 2006-05-18 WO disclosed
US-5789417-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1998-08-04 US disclosed
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US disclosed
EP-0667864-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY. ZENECA LTD (GB) 1995-08-23 EP disclosed
US-5395838-A Aromatic aminomethyl substitutes compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 US disclosed
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed
WO-1994011354-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LIMITED (GB) 1994-05-26 WO disclosed
US-5252573-A Quinazoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 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 (5 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-12297187-B2 Compound having cyclic structure H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B MAPK1 626/4885ATR 4725/4885NAMPT 4245/4885
US-12077533-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides ACR, PKD2, PGA5 MAPK1 2289/4885ATR 365/4885NAMPT 770/4885
US-20250134869-A1 Pyrrolo[2,3-d]pyrimidinyl, Pyrrolo[2,3-b]pyrazinyl and Pyrrolo[2,3-d]pyridinyl Acryla-mides JAK2, JAK3, JAK1 MAPK1 232/4885ATR 388/4885NAMPT 2242/4885
US-12258355-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 MAPK1 1219/4885ATR 4682/4885NAMPT 2566/4885
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B MAPK1 626/4885ATR 4725/4885NAMPT 4245/4885

“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.