SCHEMBL9920358

SCHEMBL9920358

CCOC(=O)c1cccn1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.37
SYK P43405 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
EPHX2 P34913 6/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL1966568 0.86 NR1H2 (0.39) TSHRNPC1RAB9ACA12CA1
SCHEMBL29860533 0.83 MKNK2 (0.35) TSHRCRHBPCRHR2ADORA3ADORA2A
SCHEMBL1854385 0.80 KDM4E (0.37) NPC1RAB9ACA12CA1CA7
SCHEMBL15908738 0.78 TSHR (0.46) TSHRCA12CA1CA7CA14
SCHEMBL9923086 0.78 RAB9A (0.36) NPC1RAB9ACA12CA1CA7
SCHEMBL12395228 0.78 F10 (0.40) TSHRCA12CA1CA7CA14
SCHEMBL28288962 0.76 L3MBTL1 (0.50) TSHRCRHBPCRHR2NPC1RAB9A
SCHEMBL5863101 0.76 TSHR (0.38) TSHRRAB9ACA12CA1CA7
SCHEMBL30028988 0.75 ALDH1A1 (0.38) TSHRCRHBPCRHR2ADORA3ADORA2A
SCHEMBL15507032 0.75 ABCB1 (0.36) ADORA3ADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 CN disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 TSHR 2870/4885CRHBP 3265/4885CRHR2 2646/4885

“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.