SCHEMBL19633231

SCHEMBL19633231

COC(O)c1ccnc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.43
▸ DYRK1A Q13627 1/20 0.41
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33
▸ SMARCA4 P51532 1/20 0.33
▸ PSEN1 P49768 4/20 0.32
▸ PSEN2 P49810 4/20 0.32
▸ APH1B Q8WW43 4/20 0.32
▸ NCSTN Q92542 4/20 0.32
▸ APH1A Q96BI3 4/20 0.32
▸ PSENEN Q9NZ42 4/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CCR1 P32246 2/20 0.31
▸ CCR5 P51681 2/20 0.31
▸ CCR8 P51685 2/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ PRCP P42785 1/20 0.31

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
SCHEMBL21098120 0.81 NOS3 (0.33) ACHECCR1CCR5CCR8
SCHEMBL14041762 0.80 UHRF1 (0.46) UHRF1DYRK1AROCK2ROCK1SMARCA2
SCHEMBL11075725 0.79 UHRF1 (0.50) UHRF1DYRK1ASMARCA2SMARCA4PSEN1
SCHEMBL19992429 0.79 LOX (0.44) DYRK1AROCK2ACHECCR1CCR5
SCHEMBL17198732 0.78 UHRF1 (0.48) UHRF1DYRK1ASMARCA2SMARCA4PSEN1
SCHEMBL19846691 0.78 UHRF1 (0.48) UHRF1DYRK1ASMARCA2SMARCA4PSEN1
SCHEMBL22854174 0.77 UHRF1 (0.39) UHRF1DYRK1AROCK2ROCK1SMARCA2
SCHEMBL20247131 0.76 UHRF1 (0.46) UHRF1DYRK1ASMARCA2SMARCA4PSEN1
SCHEMBL23727271 0.75 LOXL2 (0.41) SMARCA2SMARCA4HDAC4
SCHEMBL27045873 0.75 KDM5A (0.35) —

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-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 — — 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-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 UHRF1 3117/4885DYRK1A 4818/4885ROCK2 3854/4885

“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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