SCHEMBL4527109

SCHEMBL4527109

Cc1cc(Nc2nc(N3CC(N4CCN(C(=O)OC(C)(C)C)CC4)C3)nc3ncccc23)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ CCR4 P51679 3/20 0.38
▸ ACHE P22303 2/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ KIT P10721 2/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ DTYMK P23919 1/20 0.36
▸ ALK Q9UM73 2/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 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
SCHEMBL4535745 0.85 ACACB (0.41) POLBACHEGPR119KIT
SCHEMBL4524778 0.83 JAK2 (0.34) CCR4
SCHEMBL4531067 0.76 PAK4 (0.37) CCR4
SCHEMBL4512389 0.75 AXL (0.36) CCR4
SCHEMBL5263624 0.72 CCR4 (0.34) CCR4
SCHEMBL4521438 0.71 IGF1R (0.40) ALK
SCHEMBL17614475 0.67 POLB (0.50) POLBGPR119DTYMK
SCHEMBL2209257 0.65 POLB (0.55) POLBACHEGPR119KITDTYMK
SCHEMBL22530379 0.65 TLR9 (0.46) POLBGPR119IRAK4DTYMK
SCHEMBL16711572 0.65 DTYMK (0.49) POLBACHEGPR119KITDTYMK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 — — EP claimed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 — — WO claimed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — US disclosed
EP-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 — — EP disclosed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 — — WO 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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 POLB 1354/4885CCR4 2557/4885ACHE 4433/4885

“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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