SCHEMBL18317398

SCHEMBL18317398

COc1cc2c(cc1-c1ccc(O)nc1)CC=CN2Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.39
▸ AURKB Q96GD4 3/20 0.38
▸ INCENP Q9NQS7 3/20 0.38
▸ FGFR4 P22455 1/20 0.36
▸ CHEK1 O14757 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ 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

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
SCHEMBL18318154 0.80 BRD4 (0.38) SYKFGFR4CYP3A4
SCHEMBL16896810 0.78 BRD4 (0.39) FGFR4CHEK1CYP3A4
SCHEMBL18378607 0.78 BRD4 (0.53) CYP3A4PDE4B
SCHEMBL18317400 0.77 SYK (0.39) SYKAURKBINCENPPDE4APDE4B
SCHEMBL16896777 0.70 GRIN1 (0.44) SYKAURKBINCENPCYP3A4
SCHEMBL18317110 0.70 BRD4 (0.44) CYP3A4
SCHEMBL18377959 0.69 BRD4 (0.47) CYP3A4PDE4B
SCHEMBL18317129 0.68 BRD4 (0.43) CYP3A4
SCHEMBL18317123 0.68 BRD4 (0.43) CYP3A4
SCHEMBL18317412 0.67 BRD4 (0.41) CYP3A4

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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