SCHEMBL1244725

SCHEMBL1244725

NCC(CN(C(=O)C(F)(F)F)c1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
CYP1A2 P05177 4/20 0.33
CYP2D6 P10635 4/20 0.33
MAPK1 P28482 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 1/20 0.33
AURKA O14965 2/20 0.33
RPS6KB1 P23443 2/20 0.33
LCK P06239 3/20 0.32
ABL1 P00519 4/20 0.32
BCR P11274 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL1244723 0.83 ROCK2 (0.33) CCNT1CDK9CYP1A2CYP2D6MAPK1
SCHEMBL1242174 0.81 ROCK2 (0.36) CCNT1CDK9CYP1A2CYP2D6MAPK1
Trifluoroacetic Acid SCHEMBL5632456 0.80 ABL1 (0.35) CCNT1CDK9CYP1A2CYP2D6MAPK1
SCHEMBL1244315 0.80 ABL1 (0.36) CCNT1CDK9CYP1A2CYP2D6MAPK1
Trifluoroacetic Acid SCHEMBL1244743 0.80 NPSR1 (0.36) CCNT1CDK9MAPK1HPGDAURKA
SCHEMBL1242005 0.78 ABL1 (0.35) CCNT1CDK9CYP1A2CYP2D6MAPK1
SCHEMBL1242109 0.78 ABL1 (0.37) CCNT1CDK9CYP1A2CYP2D6MAPK1
SCHEMBL1244484 0.78 NPSR1 (0.39) CCNT1CDK9MAPK1HPGDAURKA
SCHEMBL1243564 0.78 ABL1 (0.34) CCNT1CDK9CYP1A2CYP2D6MAPK1
SCHEMBL1243876 0.78 CYP1A2 (0.37) CCNT1CDK9CYP1A2CYP2D6MAPK1

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 CCNT1 343/4885CDK9 39/4885CYP1A2 2241/4885

“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.