SCHEMBL2029915

SCHEMBL2029915

CN1C(=O)c2c([N+](=O)[O-])cccc2C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.43
PTPRC P08575 1/20 0.42
XDH P47989 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 2/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL2030956 0.84 CA1 (0.48) S100A4TDP1CA1CA2CA7
SCHEMBL20886844 0.76 MDM2 (0.38) TDP1CA1CA2CA7CA9
SCHEMBL1356246 0.75 MAOA (0.38) TDP1CA1CA2CA7CA9
SCHEMBL2034057 0.75 DPP4 (0.39) PTPRCMAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL1613571 0.74 S100A4 (0.46) S100A4TDP1CA1CA2CA7
SCHEMBL27867342 0.72 TDP1 (0.41) S100A4TDP1CA1CA2CA7
SCHEMBL30708932 0.70 LMNA (0.58) S100A4TDP1CA1CA2CA7
SCHEMBL516272 0.70 LMNA (0.58) S100A4TDP1CA1CA2CA7
SCHEMBL3039191 0.70 TDP1 (0.67) S100A4TDP1CA1CA2CA7
SCHEMBL4408048 0.69 NPC1 (0.40) S100A4TDP1CA1CA2CA7

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 6 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
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 S100A4 1598/4885TDP1 472/4885CA1 4413/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS S100A4 1598/4885TDP1 472/4885CA1 4413/4885

“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.