SCHEMBL2500700

SCHEMBL2500700

O=[N+]([O-])c1cnc(Nc2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.65
GAA P10253 1/20 0.65
MAPT P10636 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
PKM P14618 1/20 0.56
SIGMAR1 Q99720 6/20 0.53
SRC P12931 10/20 0.52
PDGFRB P09619 4/20 0.49
YES1 P07947 1/20 0.49
EPHB4 P54760 1/20 0.49
NEK1 Q96PY6 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL2496663 0.85 SRC (0.59) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL5440594 0.83 SIGMAR1 (0.54) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL7000216 0.82 KDM4E (0.92) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL3521505 0.81 KDM4E (0.66) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL4772036 0.81 KDM4E (0.90) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL5995769 0.80 SIGMAR1 (0.53) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL2499009 0.79 LTA4H (0.62) KDM4EMAPTSRC
SCHEMBL2495155 0.79 KCNJ1 (0.54) SIGMAR1
SCHEMBL5443867 0.76 SRC (0.56) SRCPDGFRBYES1EPHB4
SCHEMBL5443873 0.76 SRC (0.56) SRCPDGFRBYES1EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 US 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK KDM4E 1405/4885LMNA 4816/4885GAA 4136/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 KDM4E 630/4885LMNA 4793/4885GAA 4115/4885

“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.