SCHEMBL4597884

SCHEMBL4597884

Cc1nc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)ncc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ CYP17A1 P05093 1/20 0.44
▸ MAPKAPK2 P49137 3/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ NPR3 P17342 2/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ ITK Q08881 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL27726351 0.84 NPC1 (0.49) SYKNAMPTCYP17A1MAPKAPK2BRD4
SCHEMBL4597201 0.81 MAPT (0.69) SYKMAPKAPK2BRD4NPR3NPC1
SCHEMBL14342358 0.78 NAMPT (0.50) SYKNAMPTCYP17A1MAPKAPK2BRD4
SCHEMBL655004 0.78 SYK (0.72) SYKITK
SCHEMBL30895328 0.75 PTK2 (0.47) SYKNAMPTMAPKAPK2EGFR
SCHEMBL21925746 0.75 SYK (0.51) SYKNAMPTCYP17A1MAPKAPK2BRD4
SCHEMBL13793562 0.75 KMT2A (0.58) SYKNAMPTBRD4NPC1MAPT
SCHEMBL4598000 0.74 MAPT (0.49) NPC1MAPT
SCHEMBL23345470 0.74 POLB (0.60) SYKNAMPTCYP17A1MAPKAPK2NPR3
Bromide SCHEMBL30895402 0.74 PTK2 (0.46) SYKNAMPTMAPKAPK2EGFR

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 — — EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 — — US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 — — 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 SYK 3604/4885NAMPT 2025/4885CYP17A1 3871/4885

“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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