SCHEMBL2012660

SCHEMBL2012660

COC(=O)c1cc(Cl)c(C#C[Si](C)(C)C)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
GAA P10253 2/20 0.39
MPL P40238 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PTPN11 Q06124 1/20 0.35
ABL1 P00519 1/20 0.35
MYC P01106 1/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.35
PGK1 P00558 1/20 0.34
NR4A2 P43354 2/20 0.34

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
SCHEMBL21857652 0.90 GAA (0.42) GAASMN1; SMN2LMNAABL1HTT
SCHEMBL19554378 0.84 KDM4E (0.48) GAATSHRABL1KDM4ENQO2
SCHEMBL28183743 0.83 ABL1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL149267 0.76 GAA (0.44) GAATSHRABL1KDM4ENQO2
SCHEMBL7415528 0.76 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL28183719 0.75 GAA (0.40) CA12CA1CA2CA7CA9
SCHEMBL19993696 0.75 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL29848825 0.75 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL28421442 0.75 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL13277020 0.75 ABL1 (0.49) SMN1; SMN2LMNAABL1HTTNR4A2

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 13 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
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 CA12 4866/4885CA1 4869/4885CA2 4602/4885
US-20140066448-A1 SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PDPK1, PIK3CD CA12 4838/4885CA1 4567/4885CA2 4262/4885

“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.