SCHEMBL1242053

SCHEMBL1242053

Nc1ccc(C(=O)Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
CCNT1 O60563 3/20 0.55
CDK9 P50750 3/20 0.55
PIP4K2A P48426 2/20 0.53
PIP4K2B P78356 2/20 0.53
SETD7 Q8WTS6 1/20 0.52
PRMT1 Q99873 1/20 0.52
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
APEX1 P27695 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 2/20 0.51
EGFR P00533 3/20 0.51

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
SCHEMBL1244521 0.98 CYP1A2 (0.57) ADORA3CYP1A2CYP2C9CLK4CCNT1
SCHEMBL1242251 0.93 PIP4K2A (0.61) ADORA3CYP1A2CYP2C9CLK4CCNT1
SCHEMBL4114071 0.91 CCNT1 (0.67) CCNT1CDK9PIP4K2APIP4K2BPOLB
SCHEMBL4097416 0.90 POLB (0.63) CYP1A2CYP2C9CLK4CCNT1CDK9
SCHEMBL4114258 0.90 ABL1 (0.51) ADORA3CYP1A2CYP2C9CLK4CCNT1
SCHEMBL1243593 0.89 ABL1 (0.58) CYP2C9CCNT1CDK9POLBLMNA
SCHEMBL5752060 0.89 CCNT1 (0.67) CCNT1CDK9PIP4K2APIP4K2BMAPT
SCHEMBL1244551 0.88 CCNT1 (0.50) ADORA3CYP1A2CYP2C9CLK4CCNT1
SCHEMBL1244724 0.87 RAB9A (0.56) ADORA3CYP1A2CYP2C9CLK4LMNA
SCHEMBL4666194 0.86 TP53 (0.61) CYP1A2CYP2C9CLK4CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678147-B1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES LEAD DISCOVERY CENTER GMBH (DE) 2012-08-08 EP claimed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US claimed
US-8084457-B2 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases LEAD DISCOVERY CENTER GMBH (DE) 2011-12-27 US disclosed
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
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 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
US-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-08-16 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 (3 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-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases DAPK1, DUSP4, MARK4 ADORA3 890/4885CYP1A2 4187/4885CYP2C9 3672/4885
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK ADORA3 1415/4885CYP1A2 2241/4885CYP2C9 2199/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 ADORA3 1865/4885CYP1A2 4521/4885CYP2C9 4827/4885

“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.