SCHEMBL4376789

SCHEMBL4376789

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.43
BCR P11274 6/20 0.43
MAPK1 P28482 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
HPGD P15428 3/20 0.42
JAK2 O60674 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.40
TSHR P16473 2/20 0.40
CCNT1 O60563 3/20 0.40

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
SCHEMBL1244720 0.88 ALDH1A1 (0.48) MAPK1CYP1A2CYP2D6CYP2C19HPGD
Trifluoroacetic Acid SCHEMBL1243690 0.87 CYP1A2 (0.41) ABL1BCRMAPK1CYP1A2CYP2D6
SCHEMBL1243893 0.85 PIP4K2C (0.51) MAPK1CYP1A2CYP2D6CYP2C19HPGD
Trifluoroacetic Acid SCHEMBL4376788 0.85 ABL1 (0.48) ABL1BCRMAPK1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL1242107 0.84 PTGS1 (0.40) ABL1BCRMAPK1CYP1A2CYP2D6
SCHEMBL3400399 0.84 ABL1 (0.61) ABL1BCRMAPK1MAPTKDM4E
Trifluoroacetic Acid SCHEMBL1244552 0.84 PTGS1 (0.43) ABL1BCRMAPK1MAPTKDM4E
SCHEMBL4375500 0.83 ABL1 (0.47) ABL1BCRMAPK1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL1244312 0.83 PIP4K2C (0.45) ABL1BCRMAPK1MAPTKDM4E
Trifluoroacetic Acid SCHEMBL1243757 0.83 RET (0.39) ABL1BCRMAPK1CYP1A2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ABL1 55/4885BCR 844/4885MAPK1 61/4885

“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.