SCHEMBL2016557

SCHEMBL2016557

COC(=O)c1cc(Cl)c(C#C[Si](C)(C)C)c([N+](=O)[O-])c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 1/20 0.34
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
DCTPP1 Q9H773 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL2016162 0.83 COMT (0.44) COMTTDP1PDGFRBFGFR1PDGFRA
SCHEMBL2014632 0.82 EPAS1 (0.32) COMTTDP1PDGFRBFGFR1PDGFRA
SCHEMBL2163689 0.79 EPAS1 (0.32) TDP1SMN1; SMN2MAPT
SCHEMBL12525557 0.79 COMT (0.43) COMTTDP1PDGFRBFGFR1PDGFRA
SCHEMBL2014020 0.78 MEN1 (0.35) TDP1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7412641 0.78 COMT (0.49) COMTTDP1PDGFRBFGFR1PDGFRA
SCHEMBL7407394 0.76 GAA (0.46) COMTTDP1PDGFRBFGFR1PDGFRA
SCHEMBL12468150 0.76 COMT (0.44) COMTTDP1PDGFRBFGFR1PDGFRA
SCHEMBL2013788 0.76 COMT (0.44) COMTTDP1PDGFRBFGFR1PDGFRA
SCHEMBL8786251 0.75 SMN1; SMN2 (0.37) TDP1MEN1KMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108984-B2 Substituted diamino-pyrimidine and diamino-pyridine derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-18 US disclosed
US-9108984-B2 Substituted diamino-pyrimidine and diamino-pyridine derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-18 US disclosed
US-9108984-B2 Substituted diamino-pyrimidine and diamino-pyridine derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-18 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-03-06 US disclosed
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-03-06 US disclosed
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-03-06 US disclosed
WO-2012125629-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-09-20 WO disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 COMT 2190/4885TDP1 2910/4885PDGFRB 201/4885
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PDPK1, PIK3CD COMT 4707/4885TDP1 564/4885PDGFRB 60/4885

“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.