SCHEMBL626940

SCHEMBL626940

Cc1cnc(N)cc1-c1nc(-c2nncn2COCC[Si](C)(C)C)c(-c2ccccc2Cl)o1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
P2RX7 Q99572 3/20 0.32
DGAT1 O75907 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL627420 0.88 PIK3C3 (0.33) ALOX5APFEN1P2RX7DGAT1TP53
SCHEMBL626939 0.86 PIK3C3 (0.34) DGAT1MAPT
SCHEMBL9888667 0.84 ABL1 (0.42)
SCHEMBL626741 0.82 P2RX7 (0.35) P2RX7DGAT1TP53MAPTRXFP1
SCHEMBL15051241 0.79 P2RX7 (0.35) ALOX5APFEN1P2RX7DGAT1
SCHEMBL627057 0.77 SMO (0.41) MAPT
SCHEMBL15051765 0.68 DGAT1 (0.30) P2RX7DGAT1
SCHEMBL15050812 0.67 P2RX7 (0.34) P2RX7DGAT1MAPT
SCHEMBL15051315 0.67 DGAT1 (0.33) P2RX7DGAT1MAPT
SCHEMBL15072587 0.66 DGAT1 (0.34) P2RX7DGAT1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 ALOX5AP 3355/4885FEN1 2414/4885P2RX7 3246/4885

“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.