SCHEMBL3270728

SCHEMBL3270728

CC(C)(C)OC(=O)N1CCC(COc2ccc(Nc3ncc(Br)c(Nc4ccccc4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.52
CDK2 P24941 3/20 0.51
CDK4 P11802 1/20 0.51
IGF1R P08069 6/20 0.50
GSK3B P49841 1/20 0.49
CHEK1 O14757 1/20 0.48
NTRK2 Q16620 1/20 0.48
CCNK O75909 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND3 P30281 1/20 0.47
CDK9 P50750 1/20 0.47
CDK6 Q00534 1/20 0.47
BTK Q06187 1/20 0.46
MAPT P10636 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
ALK Q9UM73 1/20 0.46
CDK1 P06493 1/20 0.45
KDR P35968 1/20 0.45
CHEK2 O96017 1/20 0.45
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL3276745 0.78 IGF1R (0.58) SYKCDK2CDK4IGF1RGSK3B
SCHEMBL3249170 0.78 KDM4E (0.61) CHEK2GPR119
SCHEMBL20154930 0.76 IGF1R (0.51) SYKIGF1RCHEK1MAPTGPR119
SCHEMBL2456170 0.76 GPR119 (0.57) CHEK2GPR119
SCHEMBL28741969 0.75 JAK3 (0.52) BTKMAPT
SCHEMBL27393961 0.74 CSF1R (0.51) KDRCHEK2GPR119
SCHEMBL4067261 0.74 SYK (0.70) SYKCDK2CDK4CCNKCCNA2
SCHEMBL384358 0.74 GPR119 (0.60) CHEK2GPR119
SCHEMBL29674744 0.74 GPR119 (0.60) CHEK2GPR119
SCHEMBL12813454 0.74 YAP1 (0.66) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278735-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed
US-7067522-B2 2,4,DI (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2006-06-27 US disclosed
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB 2005-04-28 US disclosed
US-6838464-B2 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineaoplastic agents ASTRAZENECA AB (SE) 2005-01-04 US disclosed
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-09-25 US disclosed
EP-1278735-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001064656-A1 2,4,DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 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 (2 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-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 SYK 116/4885CDK2 1/4885CDK4 4/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI SYK 119/4885CDK2 1/4885CDK4 2/4885

“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.