SCHEMBL18673470

SCHEMBL18673470

Cc1cccc(-n2nc(C(N)=O)c3cc(OCCN4CCC4)ccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 12/20 0.65
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL18888148 0.92 MAP3K14 (0.67) MAP3K14KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL16516433 0.89 MAP3K14 (0.63) MAP3K14KDM4EALDH1A1SMN1; SMN2SCN9A
SCHEMBL18673579 0.85 MAP3K14 (0.49) MAP3K14KDM4ESMN1; SMN2SCN9A
SCHEMBL16517529 0.81 MAP3K14 (0.65) MAP3K14KDM4EALDH1A1TSHR
SCHEMBL16517635 0.80 MAP3K14 (1.00) MAP3K14
SCHEMBL16517632 0.80 MAP3K14 (1.00) MAP3K14
SCHEMBL17921006 0.79 MAP3K14 (0.74) MAP3K14
SCHEMBL18888087 0.77 MAP3K14 (0.75) MAP3K14
SCHEMBL16517361 0.74 MAP3K14 (0.47) MAP3K14SMN1; SMN2SCN9A
SCHEMBL16532335 0.73 MAP3K14 (1.00) 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-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — 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 514/4885KDM4E 2080/4885L3MBTL1 1043/4885

“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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