SCHEMBL12743229

SCHEMBL12743229

COCCOCCn1cc(-c2nc(N)ncc2Cl)c2cc(C3(O)CCCC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.41
▸ CCNT1 O60563 2/20 0.40
▸ CDK7 P50613 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ CCNH P51946 2/20 0.40
▸ MNAT1 P51948 2/20 0.40
▸ MAP3K14 Q99558 2/20 0.33
▸ XDH P47989 1/20 0.32
▸ P2RX7 Q99572 3/20 0.32
▸ IL1B P01584 2/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL12742578 0.99 DYRK1A (0.40) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL12743900 0.95 DYRK1A (0.45) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL12743914 0.93 CHUK (0.34) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL12743230 0.90 DYRK1A (0.41) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL12742676 0.86 DYRK1A (0.45) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1614094 0.86 PAK4 (0.43) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL1614097 0.85 PAK4 (0.44) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL12742580 0.84 CCNT1 (0.42) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL12743790 0.83 ICMT (0.34) DYRK1ACCNT1CDK7CDK9CCNH
SCHEMBL12743744 0.82 CNR2 (0.35) CDK9PDE2APDE10APDE4BPDE4D

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 1 patent. 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

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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