SCHEMBL7956049

SCHEMBL7956049

CCOC(=O)c1c[nH]c2ncccc12

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.74
NUDT1 P36639 1/20 0.64
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CLEC4M Q9H2X3 1/20 0.52
JAK2 O60674 7/20 0.52
JAK3 P52333 7/20 0.52
HTT P42858 1/20 0.49
ADORA2A P29274 1/20 0.48
MTNR1A P48039 1/20 0.48
TSHR P16473 1/20 0.47
ELANE P08246 2/20 0.47
CNR2 P34972 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
SCHEMBL1665308 0.91 MEN1 (0.67) MAP2K1NUDT1MEN1KMT2ACLEC4M
SCHEMBL367606 0.86 MAP2K1 (0.62) MAP2K1NUDT1MEN1KMT2AADORA2A
SCHEMBL29526844 0.85 MAP2K1 (1.00) MAP2K1KMT2AADORA2AMTNR1ACNR2
SCHEMBL1607007 0.85 MAP2K1 (1.00) MAP2K1KMT2AADORA2AMTNR1ACNR2
SCHEMBL27709892 0.81 MAP2K1 (0.76) MAP2K1KMT2AADORA2AMTNR1ACNR2
SCHEMBL12729266 0.81 MAP2K1 (0.66) MAP2K1KMT2AADORA2AMTNR1ACNR2
SCHEMBL26047920 0.80 MAP2K1 (0.74) MAP2K1KMT2AADORA2AMTNR1ACNR2
Methoxymethane SCHEMBL28146835 0.79 MAP2K1 (0.77) MAP2K1KMT2AADORA2AMTNR1ACNR2
SCHEMBL2991525 0.79 MAP2K1 (0.71) MAP2K1KMT2AADORA2AMTNR1ACNR2
SCHEMBL8513280 0.78 MAP2K1 (0.62) MAP2K1KMT2AADORA2AMTNR1ACNR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109223792-A A kind of pharmaceutical composition and preparation method thereof for treating osteoarthritis 李明霞 2019-01-18 CN claimed
CN-119080779-A Pyrrolopyrimidine ITK inhibitors 阿克拉瑞斯治疗股份有限公司 2024-12-06 CN disclosed
CN-112823005-B Pyrrolopyrimidine ITK inhibitors 阿克拉瑞斯治疗股份有限公司 2024-08-20 CN disclosed
CN-109223792-A A kind of pharmaceutical composition and preparation method thereof for treating osteoarthritis 李明霞 2019-01-18 CN disclosed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 US disclosed
WO-2010020308-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 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 (1 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-20110166175-A1 7-AZAINDOLE DERIVATIVES JAK3, AZI2, MYLK2 MAP2K1 789/4885NUDT1 3485/4885MEN1 2887/4885

“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.