SCHEMBL2637348

SCHEMBL2637348

Cc1cn(CC(=O)O)c2cccc(N)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
STAT3 P40763 1/20 0.39
GLA P06280 1/20 0.38
GFER P55789 1/20 0.38
APEX1 P27695 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL12971429 0.77 KMT2A (0.43) KMT2AMCL1ALDH1A1KDM4ESTAT3
SCHEMBL2033425 0.74 CMA1 (0.39) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL2031259 0.74 MCL1 (0.41) KMT2AMEN1MCL1ALDH1A1KDM4E
SCHEMBL260786 0.73 STAT3 (0.46) KMT2AMEN1MCL1ALDH1A1KDM4E
SCHEMBL1924126 0.73 PTGDR2 (0.46) KMT2AMEN1MCL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2034172 0.72
SCHEMBL3307798 0.71 KMT2A (0.74) KMT2AMEN1MCL1ALDH1A1KDM4E
SCHEMBL30052151 0.67 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL3174313 0.67 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL3482855 0.67 KMT2A (0.44) KMT2AMEN1MCL1ALDH1A1KDM4E

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-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS KMT2A 1592/4885MEN1 3486/4885MCL1 348/4885

“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.