SCHEMBL12001744

SCHEMBL12001744

Cc1cc(C(C)(O)c2ccc3nc(C(=O)N4CCCC4)n(-c4ccnc(N)n4)c3c2)no1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 5/20 0.39
▸ MAP3K14 Q99558 8/20 0.38
▸ PRKD1 Q15139 2/20 0.38
▸ PDE4B Q07343 3/20 0.33
▸ PDE4D Q08499 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TTBK1 Q5TCY1 2/20 0.30
▸ PAK1 Q13153 1/20 0.30
▸ PAK2 Q13177 1/20 0.30
▸ PKN1 Q16512 1/20 0.30
▸ PAK6 Q9NQU5 1/20 0.30
▸ PAK5 Q9P286 1/20 0.30

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
SCHEMBL11971090 0.85 PAK4 (0.58) PAK4MAP3K14PRKD1
SCHEMBL12001706 0.82 MAP3K14 (0.38) PAK4MAP3K14ALDH1A1TSHRTTBK1
SCHEMBL12001727 0.79 MAP3K14 (0.42) PAK4MAP3K14PRKD1TTBK1
SCHEMBL12001509 0.79 MAP3K14 (0.57) PAK4MAP3K14PRKD1TTBK1PAK1
SCHEMBL12001579 0.78 MAP3K14 (0.48) PAK4MAP3K14PRKD1TTBK1PAK1
SCHEMBL12001630 0.77 MAP3K14 (0.42) PAK4MAP3K14PRKD1TTBK1PAK1
SCHEMBL12001718 0.77 MAP3K14 (0.47) PAK4MAP3K14PRKD1TTBK1PAK1
SCHEMBL12001798 0.77 MAP3K14 (0.47) PAK4MAP3K14PRKD1TTBK1PAK1
SCHEMBL11971208 0.77 MAP3K14 (0.46) MAP3K14PDE4BPDE4DALDH1A1
SCHEMBL12001570 0.77 MAP3K14 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — 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-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR NFKB1, NFRKB, NFKBIA PAK4 1856/4885MAP3K14 519/4885PRKD1 1505/4885

“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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