SCHEMBL2015127

SCHEMBL2015127

COC(=O)c1cc(Cl)c(C#C[Si](C)(C)C)c(N)c1-c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.35
RPS6KB1 P23443 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
NTRK2 Q16620 1/20 0.35
AURKB Q96GD4 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CHRNA7 P36544 2/20 0.33
ABL1 P00519 1/20 0.33
SCN9A Q15858 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL2017918 0.89 GAA (0.37) GAAALDH1A1HPGDMEN1MAPT
SCHEMBL2014020 0.84 MEN1 (0.35) CSNK1DRPS6KB1GSK3AGSK3BDYRK1A
SCHEMBL12469974 0.82 GAA (0.38) CSNK1DRPS6KB1GSK3AGSK3BDYRK1A
SCHEMBL2164887 0.81 MRGPRX4 (0.33) CSNK1DRPS6KB1GSK3AGSK3BDYRK1A
SCHEMBL2164891 0.81 MRGPRX4 (0.33) CSNK1DRPS6KB1GSK3AGSK3BDYRK1A
SCHEMBL2042454 0.79 NPC1 (0.35) CSNK1DRPS6KB1GSK3AGSK3BDYRK1A
SCHEMBL2042451 0.79 NPC1 (0.35) CSNK1DRPS6KB1GSK3AGSK3BDYRK1A
SCHEMBL2015516 0.78 TRPM8 (0.36) ALDH1A1HPGDMAPTKMT2AMAP4K4
SCHEMBL2014632 0.73 EPAS1 (0.32) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL1324623 0.72 JAK2 (0.43) CSNK1DRPS6KB1GSK3AGSK3BDYRK1A

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
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-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
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 CSNK1D 303/4885RPS6KB1 133/4885GSK3A 138/4885
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PDPK1, PIK3CD CSNK1D 1682/4885RPS6KB1 253/4885GSK3A 608/4885

“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.