SCHEMBL1614451

SCHEMBL1614451

Nc1ncc(Cl)c(-c2cn(CC(=O)N3CCOCC3)c3ccc(C#CC4(O)CCCC4)cc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GRIN2B Q13224 5/20 0.40
▸ MAP3K14 Q99558 6/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL1613465 0.89 MAP3K14 (0.37) SMN1; SMN2HPGDMAP3K14RAB9ANPC1
SCHEMBL1613513 0.88 PAK4 (0.38) SMN1; SMN2HPGDMAP3K14RAB9ANPC1
SCHEMBL12743739 0.86 GRIN2B (0.42) SMN1; SMN2GRIN2BRAB9ANPC1MAPT
SCHEMBL1613968 0.85 PAK4 (0.38) MAP3K14RAB9ANPC1ALDH1A1PAK4
SCHEMBL1612516 0.82 CHUK (0.37) MAP3K14RAB9ANPC1PAK4POLB
SCHEMBL1614081 0.81 PAK4 (0.45) MAP3K14RAB9ANPC1PAK4POLB
SCHEMBL1614564 0.81 MAP3K14 (0.36) MAP3K14RAB9ANPC1PAK4ATM
SCHEMBL1614565 0.81 MAP3K14 (0.36) MAP3K14RAB9ANPC1PAK4ATM
SCHEMBL1614095 0.80 PAK4 (0.43) MAP3K14RAB9ANPC1PAK4POLB
SCHEMBL12714662 0.80 CHUK (0.41) MAP3K14RAB9ANPC1PAK4POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 — — EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — WO 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 SMN1; SMN2 2966/4885HPGD 989/4885GRIN2B 2198/4885

“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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