SCHEMBL1243687

SCHEMBL1243687

Nc1ccc(C(=O)Nc2ccc(Nc3cc(-c4ccccc4Oc4ccccc4)ncn3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.51
CCNT1 O60563 12/20 0.50
EGFR P00533 2/20 0.48
ERBB3 P21860 2/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.46
SYK P43405 1/20 0.44
BLK P51451 1/20 0.44
BTK Q06187 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PGR P06401 1/20 0.44

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
SCHEMBL1243636 0.89 CDK9 (0.46) CDK9CCNT1LMNACYP1A2CYP2C19
SCHEMBL1243609 0.88 CDK9 (0.65) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL1243712 0.87 CDK9 (0.56) CDK9CCNT1EGFRERBB3USP2
SCHEMBL4103963 0.86 EGFR (0.54) CDK9CCNT1EGFRERBB3USP2
SCHEMBL4105937 0.86 CDK9 (0.53) CDK9CCNT1EGFRERBB3USP2
SCHEMBL4114830 0.85 CDK9 (0.49) CDK9CCNT1EGFRERBB3USP2
SCHEMBL4109070 0.84 PIP4K2C (0.50) CDK9CCNT1EGFRERBB3ALDH1A1
SCHEMBL4116315 0.83 CDK9 (0.69) CDK9CCNT1EGFRERBB3USP2
SCHEMBL1242053 0.82 ADORA3 (0.57) CDK9CCNT1EGFRERBB3LMNA
SCHEMBL1243845 0.82 PIP4K2C (0.55) CDK9CCNT1EGFRERBB3LMNA

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 CDK9 39/4885CCNT1 343/4885EGFR 645/4885

“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.