SCHEMBL5884723

SCHEMBL5884723

COc1c[c]ccc1OCC1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
EGFR P00533 10/20 0.41
SRC P12931 7/20 0.40
ABL1 P00519 6/20 0.40
ABL2 P42684 6/20 0.40
PDPK1 O15530 1/20 0.40
KDR P35968 3/20 0.39
FGFR1 P11362 2/20 0.39
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
CIT O14578 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
ROCK2 O75116 1/20 0.39
STK10 O94804 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL2884989 0.88 PDE4B (0.41) CHRNB4CHRNA3
SCHEMBL6311181 0.88 DRD2 (0.43) CHRNB4CHRNA3EGFRSRCABL1
SCHEMBL6641951 0.87 HRH3 (0.40) SRCABL1ABL2RETHRH3
SCHEMBL2881056 0.82 PDE4B (0.44) CHRNB4CHRNA3
SCHEMBL5657330 0.77 CARM1 (0.48)
SCHEMBL3514397 0.77 POLB (0.44) DRD3
SCHEMBL5649109 0.77 ABL1 (0.47) EGFRSRCABL1ABL2HRH3
SCHEMBL15474856 0.76 MCHR1 (0.43) CHRNB4CHRNA3ADRA2CIRAK4
SCHEMBL3514854 0.76 ABCB1 (0.45) HTR2AADRA1ADRD3HRH3
SCHEMBL6313905 0.76 KDM4E (0.51) EGFRPDPK1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
US-7115617-B2 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT CHRNB4 4611/4885CHRNA3 4405/4885EGFR 1302/4885

“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.