SCHEMBL445230

SCHEMBL445230

CC1(C)OB(c2ccc(NC(=O)Nc3cccc(O)n3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
PDGFRB P09619 4/20 0.47
KDR P35968 4/20 0.47
RAB9A P51151 9/20 0.45
NPC1 O15118 6/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL24233062 0.81 NPC1 (0.59) SMN1; SMN2PDGFRBKDRRAB9ANPC1
SCHEMBL29373917 0.81 NPC1 (0.59) SMN1; SMN2PDGFRBKDRRAB9ANPC1
SCHEMBL423204 0.80 PDGFRB (0.61) TP53SMN1; SMN2MAPTPDGFRBKDR
SCHEMBL441291 0.79 CA1 (0.55) TP53PDGFRBKDRMEN1KMT2A
SCHEMBL443510 0.78 MDM2 (0.56) SMN1; SMN2MAPTPDGFRBKDRRAB9A
SCHEMBL3592057 0.78 RAB9A (0.63) PDGFRBKDRRAB9ANPC1MEN1
SCHEMBL2730940 0.77 CA1 (0.53) TP53SMN1; SMN2MAPTPDGFRBKDR
SCHEMBL442236 0.77 RAB9A (0.65) SMN1; SMN2MAPTPDGFRBKDRRAB9A
SCHEMBL422455 0.76 LPL (0.61) SMN1; SMN2MAPTPDGFRBKDRRAB9A
SCHEMBL441557 0.76 RAB9A (0.62) TP53SMN1; SMN2MAPTPDGFRBKDR

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 GBA1 3789/4885TP53 1024/4885SMN1; SMN2 2902/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR GBA1 3789/4885TP53 1024/4885SMN1; SMN2 2902/4885

“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.