SCHEMBL2017918

SCHEMBL2017918

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
NQO2 P16083 6/20 0.35
ABL1 P00519 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
EPAS1 Q99814 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
ATAD2 Q6PL18 1/20 0.30

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
SCHEMBL2015127 0.89 CSNK1D (0.35) GAANQO2ABL1ALDH1A1HPGD
SCHEMBL2014632 0.83 EPAS1 (0.32) GAAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL12468049 0.80 GAA (0.41) GAANQO2ABL1ALDH1A1HPGD
SCHEMBL2163698 0.78 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2
SCHEMBL2163704 0.78 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2
SCHEMBL28731010 0.75 GAA (0.43) GAANQO2ABL1ALDH1A1HPGD
SCHEMBL15797522 0.75 GAA (0.43) GAANQO2ABL1ALDH1A1HPGD
SCHEMBL2014020 0.74 MEN1 (0.35) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL15797302 0.71 KDM4E (0.40) GAANQO2ABL1ALDH1A1HPGD
SCHEMBL2164887 0.70 MRGPRX4 (0.33) ALDH1A1HPGDSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 GAA 2137/4885NQO2 2351/4885ABL1 117/4885

“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.