SCHEMBL1612885

SCHEMBL1612885

C#Cc1ccc2c(c1)c(-c1nc(N)ncc1Cl)cn2CCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.48
▸ CCNT1 O60563 2/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ CCNH P51946 2/20 0.43
▸ MNAT1 P51948 2/20 0.43
▸ MAP3K14 Q99558 4/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ PIKFYVE Q9Y2I7 1/20 0.35
▸ NFATC1 O95644 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CHUK O15111 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 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
SCHEMBL13575076 0.91 DYRK1A (0.38) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1612961 0.85 DYRK1A (0.67) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1613333 0.85 DYRK1A (0.51) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1614081 0.83 PAK4 (0.45) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1826891 0.80 CCNT1 (0.41) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL12714670 0.80 CCNT1 (0.41) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1614344 0.80 CCNT1 (0.41) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL16205680 0.80 DYRK1A (0.49) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1614094 0.79 PAK4 (0.43) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1613487 0.79 MAP3K14 (0.56) MAP3K14

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 6 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
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 DYRK1A 1111/4885CCNT1 3862/4885CDK7 851/4885

“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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