SCHEMBL10094256

SCHEMBL10094256

Cc1cc(Nc2ncccc2C(C)C)nc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TYK2 P29597 2/20 0.44
▸ GRM5 P41594 8/20 0.42
▸ MAPT P10636 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ ASIC3 Q9UHC3 1/20 0.39
▸ AKR1C3 P42330 1/20 0.37
▸ SHMT2 P34897 1/20 0.36
▸ IDH1 O75874 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
SCHEMBL30272066 0.76 LMNA (0.51) POLBGAATYK2MAPTCYP1A2
SCHEMBL10094168 0.75 GRM5 (0.58) POLBGAAGRM5MAPT
SCHEMBL29685491 0.73 GAA (0.44) POLBGAATYK2GRM5MAPT
SCHEMBL10094190 0.72 GRM5 (0.46) GRM5ASIC3IDH1
SCHEMBL10094257 0.72 CCNA2 (0.45) TYK2GRM5
SCHEMBL29685162 0.71 TP53 (0.47) POLBGAAGRM5MAPTTP53
SCHEMBL885037 0.71 KCNA5 (0.46) POLBGAATYK2GRM5MAPT
SCHEMBL25294012 0.70 POLB (0.44) POLBGAATYK2GRM5MAPT
SCHEMBL10094191 0.70 DHODH (0.51) POLBGAAMAPTCYP1A2ABCG2
SCHEMBL25242188 0.70 TYK2 (0.45) POLBGAATYK2GRM5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 POLB 4819/4885GAA 3707/4885TYK2 3654/4885

“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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