SCHEMBL12001804

SCHEMBL12001804

CC1CN(C(=O)c2nn(-c3ccnc(N)n3)c3cc(C(C)(O)c4ncccn4)ccc23)CC(C)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TTBK1 Q5TCY1 3/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ PIKFYVE Q9Y2I7 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAP3K14 Q99558 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL12001555 1.00 METAP2 (0.35) METAP2NPC1HSD17B10TTBK1GRM4
SCHEMBL12001492 0.92 TTBK1 (0.35) TTBK1PDK2PDE4DFFAR4PAK4
SCHEMBL12525048 0.92 TTBK1 (0.35) TTBK1PDK2PDE4DFFAR4PAK4
SCHEMBL12001554 0.91 PIK3CD (0.36) TTBK1PDK2PDE4DFFAR4PAK4
SCHEMBL12001547 0.91 TTBK1 (0.35) TTBK1PDK2PDE4DFFAR4PAK4
SCHEMBL12001564 0.89 PDK2 (0.36) TTBK1PDK2PDE4DFFAR4PAK4
SCHEMBL12001653 0.88 TTBK1 (0.38) NPC1HSD17B10TTBK1ALDH1A1ALOX5AP
SCHEMBL12001704 0.88 TTBK1 (0.38) NPC1HSD17B10TTBK1ALDH1A1ALOX5AP
SCHEMBL12001560 0.88 TTBK1 (0.38) NPC1HSD17B10TTBK1ALDH1A1ALOX5AP
SCHEMBL11970422 0.87 MAP3K14 (0.44) TTBK1PDK2PAK4PIKFYVEMAP3K14

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 METAP2 3681/4885NPC1 2238/4885HSD17B10 989/4885

“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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