SCHEMBL441291

SCHEMBL441291

CC1(C)OB(c2ccc(NC(=O)Nc3cccc(O)c3)cc2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA9 Q16790 4/20 0.55
BAZ1A Q9NRL2 1/20 0.52
PDGFRB P09619 5/20 0.52
KDR P35968 5/20 0.52
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
TRPV1 Q8NER1 1/20 0.46
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
HIF1A Q16665 1/20 0.44
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL423956 0.87 PDGFRB (0.58) CA1CA2CA9PDGFRBKDR
SCHEMBL423204 0.86 PDGFRB (0.61) CA1CA2CA9PDGFRBKDR
SCHEMBL418813 0.86 MEN1 (0.59) CA1CA2CA9PDGFRBKDR
SCHEMBL424231 0.86 RAB9A (0.55) CA1CA2CA9PDGFRBKDR
SCHEMBL59635 0.84 KDR (0.60) CA1CA2CA9PDGFRBKDR
SCHEMBL15565987 0.84 CA1 (0.52) CA1CA2CA9PDGFRBKDR
SCHEMBL59604 0.83 KMT2A (0.61) CA1CA2CA9BAZ1APDGFRB
SCHEMBL5675377 0.82 PDGFRB (0.58) CA1CA2CA9PDGFRBKDR
SCHEMBL15932600 0.82 RAB9A (0.55) CA1CA2CA9PDGFRBKDR
SCHEMBL2730940 0.80 CA1 (0.53) CA1CA2CA9PDGFRBKDR

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
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-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
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

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 CA1 4867/4885CA2 4488/4885CA9 4749/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR CA1 4867/4885CA2 4488/4885CA9 4749/4885

“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.