SCHEMBL6313189

SCHEMBL6313189

COc1c[c]cc(OCCCN2CCN(C)CC2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.48
SRC P12931 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP2D6 P10635 3/20 0.45
HRH3 Q9Y5N1 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
ABCC4 O15439 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
SCN1A P35498 1/20 0.45
THPO P40225 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL6318937 0.91 CYP2D6 (0.52) SLC29A1MEN1KMT2ACYP2D6HRH3
SCHEMBL6313695 0.84 POLB (0.55) SLC29A1MEN1KMT2ACYP2D6TSHR
SCHEMBL3514854 0.82 ABCB1 (0.45) MEN1KMT2ACYP2D6HRH3TSHR
SCHEMBL7954379 0.79 SLC29A1 (0.53) SLC29A1SRCMEN1KMT2ACYP2D6
SCHEMBL7954984 0.76 SLC29A1 (0.53) SLC29A1SRCMEN1KMT2ACYP2D6
Ammonia Solution, Strong SCHEMBL28445735 0.75 MEN1 (0.58) MEN1KMT2ACYP2D6HRH3TSHR
SCHEMBL3514397 0.74 POLB (0.44) MEN1KMT2ASMN1; SMN2ABCB1DRD3
SCHEMBL5885001 0.72 POLB (0.68) MEN1KMT2ACYP2D6SMN1; SMN2TSHR
SCHEMBL3515182 0.71 CYP2D6 (0.55) MEN1KMT2ACYP2D6HRH3SMN1; SMN2
SCHEMBL7953036 0.71 SLC29A1 (0.50) SLC29A1SRCMEN1KMT2ACYP2D6

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 10 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-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP 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-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO 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 SLC29A1 12/4885SRC 839/4885MEN1 1164/4885

“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.