SCHEMBL6318937

SCHEMBL6318937

COc1c[c]cc(OC)c1OCCCN1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.47
HTR2A P28223 3/20 0.46
HTR7 P34969 3/20 0.46
SLC29A1 Q99808 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
DRD3 P35462 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TERT O14746 1/20 0.43
SYK P43405 1/20 0.43
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
ABCB1 P08183 1/20 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
SCHEMBL6313695 0.92 POLB (0.55) CYP2D6TSHRALDH1A1MEN1KMT2A
SCHEMBL6313189 0.91 SLC29A1 (0.48) CYP2D6TSHRALDH1A1MEN1KMT2A
SCHEMBL3514854 0.81 ABCB1 (0.45) CYP2D6TSHRALDH1A1MEN1KMT2A
SCHEMBL5885001 0.80 POLB (0.68) CYP2D6TSHRALDH1A1MEN1KMT2A
SCHEMBL12845308 0.79 SLC29A1 (0.51) CYP2D6TSHRALDH1A1MEN1KMT2A
SCHEMBL12781739 0.78 CYP2D6 (0.49) CYP2D6TSHRALDH1A1MEN1KMT2A
SCHEMBL5884747 0.78 SYK (0.70) CYP2D6TSHRALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28445735 0.74 MEN1 (0.58) CYP2D6TSHRALDH1A1MEN1KMT2A
SCHEMBL3514397 0.74 POLB (0.44) MEN1KMT2APOLBDRD3ABCB1
SCHEMBL7844096 0.73 SMN1; SMN2 (0.48)

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 8 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-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 CYP2D6 23/4885TSHR 3359/4885ALDH1A1 433/4885

“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.