SCHEMBL385603

SCHEMBL385603

CCN(CC)CCOc1cccc(C(=O)OC)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
ESR1 P03372 4/20 0.63
TSHR P16473 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.54
MAOB P27338 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
KDR P35968 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
MAPT P10636 1/20 0.49
CHRNA7 P36544 1/20 0.49

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
SCHEMBL11807845 0.87 ESR1 (0.67) KMT2AMEN1SMN1; SMN2ESR1TSHR
SCHEMBL8126769 0.86 ESR1 (0.60) SMN1; SMN2ESR1KDM4ELMNACYSLTR1
SCHEMBL4299737 0.86 KMT2A (0.70) KMT2AMEN1SMN1; SMN2ESR1TSHR
SCHEMBL8184959 0.85 EBP (0.54) KMT2ALMNAMAOBMAPTCHRNA7
SCHEMBL29625647 0.85 EBP (0.54) KMT2ALMNAMAOBMAPTCHRNA7
SCHEMBL30969284 0.84 ESR1 (0.64) KMT2AMEN1SMN1; SMN2ESR1TSHR
SCHEMBL2340354 0.84 KMT2A (0.71) KMT2ASMN1; SMN2TSHRLMNACYSLTR1
SCHEMBL1606555 0.82 MAPT (0.54) KMT2ASMN1; SMN2CYSLTR1ALDH1A1CYP1A2
SCHEMBL31536904 0.82 SMPD1 (0.63) KMT2ASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL6811204 0.82 SMPD1 (0.63) KMT2ASMN1; SMN2ALDH1A1CYP1A2CYP3A4

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-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 KMT2A 686/4885MEN1 4294/4885SMN1; SMN2 2417/4885

“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.