SCHEMBL5259398

SCHEMBL5259398

CC(C)NCCNC(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3CO)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
MAPK8 P45983 2/20 0.48
ALK Q9UM73 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
IGF1R P08069 4/20 0.46
PTK2 Q05397 2/20 0.44
NTRK2 Q16620 2/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 2/20 0.43
AURKB Q96GD4 1/20 0.43
TBK1 Q9UHD2 1/20 0.42
KDR P35968 5/20 0.42
CDK2 P24941 5/20 0.42
CDK1 P06493 4/20 0.42
CDK7 P50613 3/20 0.42
CDK9 P50750 3/20 0.42
CA2 P00918 3/20 0.42
CDK4 P11802 2/20 0.42

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
SCHEMBL5260385 0.84 BRAF (0.51) GSK3BMAPK8ALKHDAC1HDAC6
SCHEMBL5261586 0.81 IGF1R (0.48) GSK3BALKHDAC1HDAC2HDAC6
SCHEMBL26506662 0.81 GSK3B (0.58) GSK3BMAPK8ALKIGF1RPTK2
SCHEMBL5260063 0.81 TBK1 (0.63) GSK3BIGF1RAURKATBK1CDK2
SCHEMBL26506636 0.79 MAPK8 (0.56) GSK3BMAPK8ALKIGF1RNTRK2
SCHEMBL26506627 0.79 IGF1R (0.68) GSK3BMAPK8ALKIGF1RAURKA
SCHEMBL26506628 0.76 CHEK1 (0.60) GSK3BMAPK8ALKIGF1RNTRK2
SCHEMBL26506649 0.76 IGF1R (0.69) GSK3BMAPK8ALKIGF1RKDR
SCHEMBL26506654 0.74 MAPK8 (0.53) GSK3BMAPK8ALKIGF1RTBK1
SCHEMBL26506639 0.74 MAPK8 (0.49) GSK3BMAPK8ALKIGF1RNTRK2

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
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP claimed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US claimed
JP-2003525278-A 2003-08-26 JP claimed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US claimed
EP-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP claimed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO claimed

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-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 GSK3B 455/4885MAPK8 666/4885ALK 211/4885

“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.