SCHEMBL3018027

SCHEMBL3018027

COc1ccc(CN(c2ccccc2)c2cc(N[C@H]3CCCN(Cc4ccccc4)C3)nn3c(C#N)cnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.44
▸ CCR2 P41597 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ EHMT2 Q96KQ7 2/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ KAT2B Q92831 3/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36

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
SCHEMBL3018031 1.00 ROCK2 (0.44) ROCK2CCR2ROCK1MEN1KMT2A
SCHEMBL2358823 0.78 NR1D1 (0.36) MEN1KMT2A
SCHEMBL3527158 0.77 CCNE1 (0.39) —
SCHEMBL3527159 0.77 CCNE1 (0.39) —
SCHEMBL3529122 0.75 CCNE1 (0.41) —
SCHEMBL3529117 0.75 CCNE1 (0.41) —
SCHEMBL3013398 0.73 AGTR2 (0.36) MEN1KMT2A
SCHEMBL3026839 0.71 TYK2 (0.47) —
SCHEMBL3026837 0.71 TYK2 (0.47) —
SCHEMBL25272538 0.71 CCNE2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (2 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 ROCK2 164/4885CCR2 1563/4885ROCK1 390/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ROCK2 275/4885CCR2 1038/4885ROCK1 516/4885

“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.

Send feedback