SCHEMBL3874663

SCHEMBL3874663

C#CCOc1nc(Nc2ccccc2C(=O)OCC)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.47
CDC25A P30304 1/20 0.47
CDC25C P30307 1/20 0.47
SIRT5 Q9NXA8 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AURKA O14965 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 2/20 0.41
METTL3 Q86U44 1/20 0.41
MAPK8 P45983 1/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6542666 0.91 PTK2 (0.44) POLBAURKAKDM4ECYP1A2CYP2C19
SCHEMBL3866210 0.82 RAB9A (0.52) AURKAALDH1A1KDM4ERAB9ANPC1
SCHEMBL3869603 0.80 SMN1; SMN2 (0.56) CDC25BNPSR1POLBALDH1A1KDM4E
SCHEMBL3865240 0.80 IGF1R (0.43) POLBMAPK8IGF1R
SCHEMBL3867589 0.78 KDM4E (0.42) SIRT5KDM4EMAPK8
SCHEMBL13897538 0.76 ULK1 (0.40) MAPK8IGF1R
SCHEMBL6451895 0.74 CDK2 (0.48) AURKAKDM4EHPGD
SCHEMBL3865571 0.73 PTK2 (0.49) CDC25BCDC25ACDC25CSIRT5AURKA
SCHEMBL4023231 0.72 CDK2 (0.49) NPSR1AURKARAB9ANPC1MAPT
SCHEMBL4018601 0.70 CDK1 (0.50) AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 EP disclosed
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US disclosed
WO-2004048343-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-10 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-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents DCK, PDPK1, DTYMK CDC25B 507/4885CDC25A 547/4885CDC25C 511/4885

“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.