SCHEMBL1613132

SCHEMBL1613132

Nc1ncc(Cl)c(-c2cn(CC3CCCN3)c3ccc(C#CC4(O)CCCC4)cc23)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 9/20 0.38
▸ PAK4 O96013 3/20 0.36
▸ CHUK O15111 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ PAK1 Q13153 1/20 0.33
▸ PAK2 Q13177 1/20 0.33
▸ PKN1 Q16512 1/20 0.33
▸ PAK6 Q9NQU5 1/20 0.33
▸ PAK5 Q9P286 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL1614565 0.85 MAP3K14 (0.36) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL1614564 0.85 MAP3K14 (0.36) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL13575081 0.85 NPC1 (0.38) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL1612516 0.84 CHUK (0.37) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL1614081 0.82 PAK4 (0.45) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL1613593 0.81 IDO1 (0.41) MAP3K14CCNT1CDK7CDK9CCNH
SCHEMBL1614014 0.81 MAP3K14 (0.40) MAP3K14PAK4NPC1RAB9ACCNT1
SCHEMBL12714662 0.81 CHUK (0.41) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL1613465 0.80 MAP3K14 (0.37) MAP3K14PAK4CHUKNPC1RAB9A
SCHEMBL1614343 0.80 NPC1 (0.39) MAP3K14PAK4CHUKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 MAP3K14 17/4885PAK4 323/4885CHUK 28/4885

“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