SCHEMBL627420

SCHEMBL627420

C[Si](C)(C)CCOCn1cnnc1-c1nc(-c2ccnc(N)c2)oc1-c1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
DYRK1A Q13627 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 1/20 0.31
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
P2RX7 Q99572 5/20 0.30
DGAT1 O75907 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
SCHEMBL626940 0.88 ALOX5AP (0.33) TP53MAPTRXFP1ALOX5APFEN1
SCHEMBL626741 0.81 P2RX7 (0.35) TP53MAPTRXFP1P2RX7DGAT1
SCHEMBL627057 0.81 SMO (0.41) MAPT
SCHEMBL626939 0.77 PIK3C3 (0.34) PIK3C3MAPTDGAT1
SCHEMBL9888667 0.75 ABL1 (0.42)
SCHEMBL15051241 0.73 P2RX7 (0.35) ALOX5APFEN1P2RX7DGAT1
SCHEMBL15050812 0.71 P2RX7 (0.34) MAPTP2RX7DGAT1
SCHEMBL9109834 0.70 PIK3C3 (0.43) PIK3C3PIM1PIM3PIM2TP53
SCHEMBL20508770 0.68 DYRK1A (0.38) PIM1ALOX5APFEN1DYRK1ADGAT1
SCHEMBL16167590 0.68 PIK3C3 (0.44) PIK3C3PIM1PIM3PIM2TP53

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 PIK3C3 52/4885PIM1 1337/4885PIM3 1540/4885

“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.