SCHEMBL19961093

SCHEMBL19961093

CC(=O)C(C)(C)Sc1ccc2nccn2c1-c1ccc(C#N)cc1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 12/20 0.84
▸ KDM1A O60341 2/20 0.36
▸ EGLN2 Q96KS0 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ GRIA1 P42261 2/20 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
SCHEMBL18105516 0.91 SLC22A12 (1.00) SLC22A12
SCHEMBL19456910 0.89 SLC22A12 (0.79) SLC22A12KDM1AEGLN2GAA
SCHEMBL18105594 0.86 SLC22A12 (0.75) SLC22A12KDM1AEGLN2GAA
SCHEMBL19967246 0.77 SLC22A12 (0.62) SLC22A12KDM1AEGLN2GAAGRIA1
SCHEMBL19456815 0.72 SLC22A12 (0.69) SLC22A12
SCHEMBL19456909 0.72 SLC22A12 (0.67) SLC22A12
SCHEMBL18105513 0.71 SLC22A12 (0.54) SLC22A12KDM1AEGLN2GRIA1
SCHEMBL19456744 0.70 SLC22A12 (0.62) SLC22A12
SCHEMBL21727938 0.70 SLC22A12 (0.82) SLC22A12
SCHEMBL19456820 0.70 SLC22A12 (0.53) SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2018-03-15 — — 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-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF URB2, UGP2, NLRP3 SLC22A12 578/4885KDM1A 1974/4885EGLN2 1514/4885

“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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