SCHEMBL12001432

SCHEMBL12001432

COCCNc1nc2ccc([C@@](C)(O)c3cc(C)on3)cc2n1-c1ccnc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 7/20 0.62
▸ PAK1 Q13153 2/20 0.52
▸ PAK2 Q13177 1/20 0.52
▸ PKN1 Q16512 1/20 0.52
▸ PAK6 Q9NQU5 1/20 0.52
▸ PAK5 Q9P286 1/20 0.52
▸ MAP3K14 Q99558 4/20 0.39
▸ PRKD1 Q15139 2/20 0.39
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ KLKB1 P03952 1/20 0.30
▸ MAP4K1 Q92918 1/20 0.30
▸ TTBK1 Q5TCY1 4/20 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
SCHEMBL12001718 0.86 MAP3K14 (0.47) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001656 0.86 PAK4 (0.73) PAK4PAK1PAK2PKN1PAK6
SCHEMBL11971027 0.86 PAK4 (0.76) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001808 0.83 PAK4 (0.63) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001579 0.82 MAP3K14 (0.48) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001509 0.82 MAP3K14 (0.57) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001798 0.80 MAP3K14 (0.47) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001580 0.78 MAP3K14 (0.45) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001630 0.77 MAP3K14 (0.42) PAK4PAK1PAK2PKN1PAK6
SCHEMBL11970925 0.77 PAK4 (1.00) PAK4PAK1PAK2PKN1PAK6

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 1856/4885PAK1 1017/4885PAK2 2155/4885

“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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