SCHEMBL13648334

SCHEMBL13648334

C#CCOc1nc(Nc2cccc(OCC3CO3)c2)ncc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.45
▸ ITK Q08881 2/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ BTK Q06187 2/20 0.42
▸ CDK2 P24941 4/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CCNA2 P20248 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ SYK P43405 5/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39

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
SCHEMBL13648338 0.88 CDK2 (0.42) ITKTSHRHIF1AALDH1A1TP53
SCHEMBL13648554 0.79 SYK (0.60) EGFRITKALDH1A1CDK2CDK1
SCHEMBL13897482 0.79 SYK (0.49) EGFRITKALDH1A1BTKCDK2
SCHEMBL23868689 0.78 ALDH1A1 (0.64) EGFRCYP3A4TSHRHIF1AALDH1A1
SCHEMBL13897817 0.77 SYK (0.52) EGFRITKALDH1A1BTKCDK2
SCHEMBL13648686 0.77 SMN1; SMN2 (0.47) EGFRITKTSHRHIF1ASMN1; SMN2
SCHEMBL13648685 0.77 SMN1; SMN2 (0.47) EGFRITKTSHRHIF1ASMN1; SMN2
SCHEMBL13648386 0.77 L3MBTL1 (0.52) TSHRSMN1; SMN2SYKUSP2CYP1A2
SCHEMBL3867551 0.76 CDK1 (0.45) EGFRITKALDH1A1BTKCDK2
SCHEMBL13897819 0.75 CDK2 (0.44) EGFRITKALDH1A1BTKCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 — — US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 — — 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 (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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 EGFR 1447/4885ITK 1586/4885CYP3A4 1692/4885

“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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