SCHEMBL4025841

SCHEMBL4025841

CCC[C@H](CO)Nc1nc(Nc2ccc3[nH]ncc3c2)ncc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.53
▸ KDR P35968 8/20 0.46
▸ WEE1 P30291 5/20 0.46
▸ ALK Q9UM73 5/20 0.46
▸ CDK7 P50613 5/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ FGFR1 P11362 4/20 0.46
▸ AURKA O14965 3/20 0.46
▸ DAPK3 O43293 3/20 0.46
▸ JAK2 O60674 3/20 0.46
▸ PRKD3 O94806 3/20 0.46
▸ MAP4K4 O95819 3/20 0.46
▸ PAK4 O96013 3/20 0.46
▸ LCK P06239 3/20 0.46
▸ FYN P06241 3/20 0.46
▸ CSF1R P07333 3/20 0.46
▸ RET P07949 3/20 0.46
▸ IGF1R P08069 3/20 0.46
▸ PDGFRA P16234 3/20 0.46
▸ PRKACA P17612 3/20 0.46

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
SCHEMBL5174148 1.00 EGFR (0.53) EGFRKDRWEE1ALKCDK7
SCHEMBL13648435 0.84 EGFR (0.55) EGFRKDRWEE1ALKCDK7
SCHEMBL1116423 0.77 EGFR (0.62) EGFRKDRWEE1ALKCDK7
SCHEMBL14367836 0.76 CDK1 (0.57) KDRCDK7CDK9CDK1CA2
SCHEMBL4020341 0.76 CDK1 (0.63) EGFRKDRWEE1ALKCDK7
SCHEMBL13648508 0.72 CDK1 (0.57) KDRCDK7CDK9AURKAIGF1R
SCHEMBL3759654 0.72 EGFR (0.83) EGFRKDRWEE1ALKCDK7
SCHEMBL5414929 0.71 ROCK2 (0.56) JAK2PRKD3MAP4K4PRKACACLK2
SCHEMBL13648517 0.71 CDK1 (0.55) KDRCDK7CDK9CDK1CA2
SCHEMBL6212988 0.71 PTK2 (0.75) EGFRKDRFGFR1IGF1RPTK2

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
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 — — EP 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-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 1447/4885KDR 1504/4885WEE1 108/4885

“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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