SCHEMBL5884747

SCHEMBL5884747

COc1c[c]cc(OC)c1OCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.70
TSHR P16473 2/20 0.62
CYP2D6 P10635 2/20 0.62
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL5885001 0.85 POLB (0.68) SYKTSHRCYP2D6POLBMEN1
SCHEMBL6313695 0.85 POLB (0.55) SYKTSHRCYP2D6POLBMEN1
SCHEMBL10196165 0.82 SYK (1.00) SYKTSHRCYP2D6POLBMEN1
SCHEMBL7974564 0.82 MEN1 (0.60) SYKTSHRCYP2D6POLBMEN1
SCHEMBL3514630 0.82 SYK (0.54) SYKTSHRCYP2D6POLBALDH1A1
SCHEMBL12435658 0.81 SYK (0.77) SYKTSHRCYP2D6POLBMEN1
SCHEMBL523271 0.81 SYK (0.71) SYKTSHRCYP2D6POLBMEN1
SCHEMBL6618703 0.80 SYK (0.67) SYKTSHRCYP2D6POLBMEN1
SCHEMBL6318937 0.78 CYP2D6 (0.52) SYKTSHRCYP2D6POLBMEN1
SCHEMBL4711038 0.77 SYK (0.70) SYKTSHRCYP2D6MEN1KMT2A

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
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US 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
EP-1373257-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-02 EP disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed
WO-2002079197-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-10 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 SYK 928/4885TSHR 3359/4885CYP2D6 23/4885

“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.