SCHEMBL18910443

SCHEMBL18910443

C=CC(=C)c1cnc(N2C[C@@H]3C[C@H]2CO3)nc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 17/20 0.42
▸ MTOR P42345 2/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MAP3K13 O43283 2/20 0.38
▸ DLK1 P80370 1/20 0.35

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
SCHEMBL1367412 0.76 KCNQ3 (0.43) MAP3K12MTORPIK3CA
SCHEMBL2143738 0.76 KCNQ3 (0.43) MAP3K12MTORPIK3CA
SCHEMBL30749108 0.76 MAP3K12 (0.48) MAP3K12MTORPIK3CAMAP3K13DLK1
SCHEMBL30748906 0.68 MAP3K12 (0.42) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL18339649 0.68 MAP3K12 (0.42) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL25082160 0.65 MAP3K12 (0.46) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL20742465 0.63 MAP3K12 (0.45) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL15743911 0.63 MAP3K12 (0.50) MAP3K12MAP3K13DLK1
SCHEMBL25147712 0.63 MAP3K12 (0.50) MAP3K12MAP3K13DLK1
SCHEMBL15743920 0.63 MAP3K12 (0.50) MAP3K12MAP3K13DLK1

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-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2017-06-01 — — 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-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS HRH2, HRH4, H1-0 MAP3K12 3611/4885MTOR 3556/4885PIK3CA 2690/4885

“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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