SCHEMBL1242068

SCHEMBL1242068

COCCOC(=O)c1ccc(N(CCOC)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
CYP3A4 P08684 2/20 0.40
ABCB11 O95342 1/20 0.40
ADRA2B P18089 1/20 0.40
OPRD1 P41143 1/20 0.40
SCN5A Q14524 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.39
GAA P10253 3/20 0.37
CYP2D6 P10635 2/20 0.37
MAOA P21397 1/20 0.37
HTR3A P46098 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
F2 P00734 3/20 0.37
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1242165 0.85 F2 (0.41) CYP3A4F2ALDH1A1NPC1HPGD
SCHEMBL1570978 0.81 MT-CO2 (0.47) CYP3A4GAAF2ALDH1A1NPSR1
SCHEMBL29143437 0.81 LMNA (0.52) TSHRCYP3A4SCN5AGAACYP2D6
SCHEMBL21015616 0.80 TSHR (0.51) TSHRCYP3A4ABCB11ADRA2BOPRD1
SCHEMBL31378320 0.79 KDM4E (0.39) F2ALDH1A1NPC1KDM4EMAPT
SCHEMBL9320408 0.78 CA12 (0.40) CYP3A4GAAMAOAALDH1A1NPC1
SCHEMBL31378290 0.78 F2 (0.37) TSHRCYP3A4F2ALDH1A1NPC1
SCHEMBL1736350 0.78 NOTUM (0.42) TSHRGAAF2ALDH1A1NPC1
SCHEMBL2494883 0.77 LMNA (0.43) GAAF2ALDH1A1NPC1SMN1; SMN2
SCHEMBL64028 0.76 NOTUM (0.49) TSHRGAAALDH1A1NPC1HPGD

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-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 US disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 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-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK TSHR 4039/4885CYP3A4 1757/4885ABCB11 3103/4885

“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.