SCHEMBL18883245

SCHEMBL18883245

COC(=O)c1nn(-c2cccc(C#C[C@@](C)(O)c3ncccn3)c2)c2ncccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 17/20 0.62
▸ PKD1 P98161 2/20 0.47
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL16532476 0.89 MAP3K14 (0.79) MAP3K14
SCHEMBL18888186 0.82 MAP3K14 (0.68) MAP3K14MEN1KMT2A
SCHEMBL16532435 0.78 MAP3K14 (0.63) MAP3K14
SCHEMBL16532313 0.78 PDE4A (0.48) MAP3K14PKD1KCNH2CYP1A2CYP3A4
SCHEMBL16532559 0.77 MAP3K14 (0.62) MAP3K14
SCHEMBL16532298 0.77 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16532512 0.76 MAP3K14 (0.81) MAP3K14
SCHEMBL16516753 0.76 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL20916168 0.74 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16532517 0.73 MAP3K14 (0.81) MAP3K14

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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — 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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885PKD1 2902/4885MEN1 3218/4885

“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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