SCHEMBL414062

SCHEMBL414062

CN1Cc2nc(Cl)nc(N3CCOCC3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HTR2C P28335 1/20 0.42
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MTOR P42345 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL412662 0.82 SMN1; SMN2 (0.40) SMN1; SMN2HTR2CPOLBKMT2ALMNA
SCHEMBL414091 0.80 MTOR (0.44) SMN1; SMN2NPSR1MTOR
SCHEMBL27821544 0.79 MTOR (0.44) SMN1; SMN2POLBMTOR
SCHEMBL443704 0.77 MTOR (0.47) MTOR
SCHEMBL412581 0.77 MTOR (0.47) MTOR
SCHEMBL412650 0.77 MTOR (0.48) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL1722526 0.76 ALDH1A1 (0.36) SMN1; SMN2HTR2CPOLBKMT2ALMNA
SCHEMBL2266744 0.76 ALDH1A1 (0.51) SMN1; SMN2HTR2CPOLBKMT2ALMNA
SCHEMBL413964 0.76 MTOR (0.47) KMT2ALMNAGAAMAPTL3MBTL1
SCHEMBL16121386 0.75 SMN1; SMN2 (0.44) SMN1; SMN2HTR2CPOLBKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 EP disclosed
EP-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 EP disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
EP-2406258-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Cellzome Limited (GB) 2012-01-18 EP disclosed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 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-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR SMN1; SMN2 2902/4885HTR2C 3560/4885POLB 632/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR SMN1; SMN2 2902/4885HTR2C 3560/4885POLB 632/4885

“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.