SCHEMBL18673430

SCHEMBL18673430

COC(=O)c1nn(-c2cccc(C)c2)c2nc(N3CCOCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.51
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ PIK3CB P42338 7/20 0.42
▸ PIK3CD O00329 6/20 0.42
▸ PIK3CA P42336 6/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3R2 O00459 1/20 0.41
▸ PIK3R5 Q8WYR1 1/20 0.41
▸ PIK3R3 Q92569 1/20 0.41

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
SCHEMBL16532690 0.90 MAP3K14 (0.50) MAP3K14NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL18673460 0.79 GAA (0.52) MAP3K14KMT2AMEN1RXFP1GAA
SCHEMBL16532691 0.79 MAP3K14 (0.84) MAP3K14
SCHEMBL16517487 0.77 MAP3K14 (0.51) MAP3K14KMT2AMEN1GAAALDH1A1
SCHEMBL18673586 0.74 GAA (0.56) MAP3K14NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16532623 0.72 MAP3K14 (0.50) MAP3K14NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12701227 0.71 PKM (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL18673502 0.71 ELANE (0.65) KMT2AGAAALDH1A1F2PLAU
SCHEMBL16517620 0.69 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL16532395 0.69 MAPT (0.45) MAP3K14NPC1RAB9ASMN1; SMN2KMT2A

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 514/4885NPC1 814/4885RAB9A 1461/4885

“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.

Send feedback