SCHEMBL1613593

SCHEMBL1613593

Nc1ncc(Cl)c(-c2cn(CC3CCCN3)c3ccc(Br)cc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.41
▸ DYRK1A Q13627 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ CDK9 P50750 4/20 0.36
▸ CCNT1 O60563 3/20 0.36
▸ CDK7 P50613 3/20 0.36
▸ CCNH P51946 3/20 0.36
▸ MNAT1 P51948 3/20 0.36
▸ KDR P35968 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ PRKDC P78527 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
SCHEMBL1613132 0.81 MAP3K14 (0.38) MAPK1CDK9CCNT1CDK7CCNH
SCHEMBL1612961 0.75 DYRK1A (0.67) IDO1DYRK1ACDK9CCNT1CDK7
SCHEMBL1612566 0.75 HTR6 (0.38) DYRK1ACDK9CCNT1CDK7CCNH
SCHEMBL12743755 0.67 CNR1 (0.36) MAPK1PIK3CA
SCHEMBL12743220 0.67 CDK9 (0.36) CDK9PIK3CA
SCHEMBL1613333 0.66 DYRK1A (0.51) DYRK1ACDK9CCNT1CDK7CCNH
SCHEMBL13575076 0.66 DYRK1A (0.38) DYRK1ACDK9CCNT1CDK7CCNH
SCHEMBL1612875 0.65 CLK1 (0.73) CLK1CDK5CDK5R1MAP3K14PDK1
SCHEMBL1614564 0.65 MAP3K14 (0.36) MAP3K14
SCHEMBL13575081 0.65 NPC1 (0.38) CDK9CCNT1CDK7CCNHMNAT1

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 IDO1 821/4885DYRK1A 1111/4885MAPK1 58/4885

“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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