SCHEMBL1244720

SCHEMBL1244720

O=C(O)Nc1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP1A2 P05177 6/20 0.48
CYP2D6 P10635 5/20 0.48
CYP2C19 P33261 5/20 0.48
CLK4 Q9HAZ1 4/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 4/20 0.45
CCNT1 O60563 3/20 0.44
CDK9 P50750 3/20 0.44
PIP4K2C Q8TBX8 1/20 0.42
LMNA P02545 4/20 0.41
HSD17B10 Q99714 3/20 0.41
USP2 O75604 3/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL1244342 0.93 CYP1A2 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL1241945 0.92 CYP3A4 (0.41) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL1244513 0.92 PIP4K2C (0.49) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL1243893 0.91 PIP4K2C (0.51) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL1244782 0.90 PIP4K2C (0.57) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL1244273 0.90 PIP4K2C (0.43) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL4376789 0.88 ABL1 (0.43) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL1243786 0.87 PIP4K2C (0.49) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL4375500 0.87 ABL1 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL5610974 0.87 CDK1 (0.40) ALDH1A1CYP1A2CYP2D6CYP2C19CLK4

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 3 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

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 ALDH1A1 2113/4885CYP1A2 2241/4885CYP2D6 1190/4885

“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.