SCHEMBL161429

SCHEMBL161429

Cc1cc(N)nn1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
NR1H2 P55055 1/20 0.37
ENPP3 O14638 1/20 0.36
ALPL P05186 1/20 0.36
XIAP P98170 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAP2K4 P45985 1/20 0.35
ELANE P08246 1/20 0.35
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33

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
SCHEMBL14632793 0.83 TSHR (0.50) ENPP3ALPLXIAPTSHRF12
SCHEMBL2480409 0.82 FAAH (0.38) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL2961171 0.81 FAAH (0.40) FAAHMAP2K4ELANESMARCA2SMARCA4
SCHEMBL4978183 0.81 FAAH (0.37) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL939622 0.80 FAAH (0.39) FAAHNR1H2MAP2K4ELANEBCHE
SCHEMBL5400751 0.80 FAAH (0.39) FAAHNR1H2MAP2K4ELANEBCHE
SCHEMBL13024386 0.80 FAAH (0.39) FAAHMAP2K4ELANEBCHETSHR
SCHEMBL25519570 0.80 MAP2K4 (0.40) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL25519814 0.80 FAAH (0.39) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4
SCHEMBL18284944 0.80 FAAH (0.39) FAAHNR1H2HSP90AA1HSP90AB1MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072541-B Preparation method of targeted drug BLU-667 山东四环药业股份有限公司 2022-07-08 CN claimed
CN-113072541-A Preparation method of targeted drug BLU-667 山东四环药业股份有限公司 2021-07-06 CN claimed
US-12358931-B2 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl) propanenitrile as a JAK kinase inhibitor THERAVANCE BIOPHARMA R&D IP, LLC (US) 2025-07-15 US disclosed
US-12351582-B2 Aurora kinase inhibitors and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2025-07-08 US disclosed
EP-4001276-B1 AURORA KINASE INHIBITOR AND USE THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2025-06-25 EP disclosed
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2025-06-17 US disclosed
CN-116003441-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2025-06-10 CN disclosed
CN-116134022-B ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2025-03-18 CN disclosed
CN-115925705-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-12-31 CN disclosed
US-20240417386-A1 INHIBITORS OF RET MIDCAP FINANCIAL TRUST 2024-12-19 US disclosed
WO-2024230647-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 苏州信诺维医药科技股份有限公司 2024-11-14 WO disclosed
US-7226923-B2 Phthalazinone derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-05 US disclosed
WO-2007017649-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVES FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
EP-1718624-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATING AGENTS AstraZeneca AB (SE) 2006-11-08 EP disclosed
US-20060089359-A1 Phthalazinone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-27 US disclosed
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
WO-2005080359-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS GLUCOKINAE ACTIVATING AGENTS ASTRAZENECA AB (SE) 2005-09-01 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 (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-12358931-B2 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl) propanenitrile as a JAK kinase inhibitor JAK1, JAK3, JAK2 FAAH 3889/4885NR1H2 4675/4885ENPP3 1475/4885
US-20060089359-A1 Phthalazinone derivatives SDHA, SDHB, CYP3A5 FAAH 4387/4885NR1H2 254/4885ENPP3 1182/4885
US-20240417386-A1 INHIBITORS OF RET RET, HRAS, RB1 FAAH 4828/4885NR1H2 3571/4885ENPP3 2949/4885
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors CDK19, CDK9, CDK1 FAAH 4453/4885NR1H2 2350/4885ENPP3 1209/4885
US-12351582-B2 Aurora kinase inhibitors and uses thereof AURKA, AURKC, AURKB FAAH 4140/4885NR1H2 3349/4885ENPP3 1579/4885

“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.