SCHEMBL18317400

SCHEMBL18317400

COc1cc2c(cc1-c1ccc(O)nc1)C=CCN2Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.39
▸ AURKB Q96GD4 3/20 0.38
▸ INCENP Q9NQS7 3/20 0.38
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL18318155 0.80 BRD4 (0.38) SYKCHRNA7
SCHEMBL18317140 0.79 BRD4 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL16896811 0.78 BRD4 (0.39) —
SCHEMBL18378608 0.78 BRD4 (0.53) PDE4B
SCHEMBL18317398 0.77 SYK (0.39) SYKAURKBINCENPPDE4APDE4B
SCHEMBL16896777 0.70 GRIN1 (0.44) SYKAURKBINCENPGRIN1GRIN2B
SCHEMBL28204625 0.69 SIRT1 (0.44) —
SCHEMBL18377960 0.69 BRD4 (0.47) PDE4B
SCHEMBL20357659 0.65 GRIN1 (0.40) SYKAURKBINCENPPDE4APDE4B
SCHEMBL16896880 0.65 SYK (0.43) SYKAURKBINCENPCHRNA7ROCK2

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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US claimed

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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 SYK 3294/4885AURKB 2908/4885INCENP 3231/4885

“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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