SCHEMBL2029319

SCHEMBL2029319

CCP(=O)(CC)Cc1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
CYP19A1 P11511 1/20 0.44
HDAC1 Q13547 1/20 0.42
HSD11B1 P28845 1/20 0.40
CYP3A4 P08684 2/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
TP53 P04637 1/20 0.39
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HPGD P15428 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL28386683 0.81 MAOB (0.48) MAOAMAOBCYP19A1HSD11B1CYP3A4
SCHEMBL2030119 0.81 MAOB (0.48) MAOAMAOBCYP19A1HSD11B1CYP3A4
SCHEMBL478915 0.77 CCNT1 (0.56) MAOAMAOBCYP19A1HDAC1CYP3A4
SCHEMBL2637300 0.77 PGK1 (0.56) MAOAMAOBCYP19A1CCNT1CDK9
SCHEMBL2030867 0.76 GLA (0.59) MAOAMAOBCYP19A1HDAC1HSD11B1
SCHEMBL2033357 0.76 FDPS (0.42) MAOAMAOBHDAC1CYP3A4RECQL
SCHEMBL5210171 0.76 HPGD (0.61) TP53ALDH1A1HPGD
SCHEMBL33276 0.73
SCHEMBL29738346 0.73
SCHEMBL2034729 0.73 MAOB (0.41) MAOAMAOBCYP19A1CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438056-B1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS LLC (US) 2017-12-20 EP disclosed
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
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US 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 (2 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 MAOA 3295/4885MAOB 2330/4885CYP19A1 3576/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS MAOA 3295/4885MAOB 2330/4885CYP19A1 3576/4885

“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.