SCHEMBL2164887

SCHEMBL2164887

CCN(CC)/N=N/c1c(C#C[Si](C)(C)C)c(Cl)cc(C(=O)OC)c1-c1cccc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CSNK1D P48730 2/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
RPS6KB1 P23443 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
NTRK2 Q16620 1/20 0.31
AURKB Q96GD4 1/20 0.31
GABRA5 P31644 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL2164891 1.00 MRGPRX4 (0.33) MRGPRX4ALDH1A1TSHRPPARGPPARA
SCHEMBL2163698 0.92 ALDH1A1 (0.32) MRGPRX4ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL2163704 0.92 ALDH1A1 (0.32) MRGPRX4ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL12469928 0.85 ALDH1A1 (0.35) MRGPRX4ALDH1A1TSHRPPARGPPARA
SCHEMBL2042451 0.83 NPC1 (0.35) ALDH1A1CSNK1DRPS6KB1GSK3AGSK3B
SCHEMBL2042454 0.83 NPC1 (0.35) ALDH1A1CSNK1DRPS6KB1GSK3AGSK3B
SCHEMBL2164035 0.81 TRPM8 (0.31) CA1CA2TRPM8
SCHEMBL2164040 0.81 TRPM8 (0.31) CA1CA2TRPM8
SCHEMBL2015127 0.81 CSNK1D (0.35) ALDH1A1PPARGPPARACSNK1DJAK2
SCHEMBL2014020 0.78 MEN1 (0.35) ALDH1A1PPARGPPARACSNK1DRPS6KB1

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-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

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 MRGPRX4 773/4885ALDH1A1 3722/4885TSHR 1701/4885
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PDPK1, PIK3CD MRGPRX4 770/4885ALDH1A1 2187/4885TSHR 1871/4885

“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.