SCHEMBL627007

SCHEMBL627007

COC(CNC(=O)c1nc(-c2cc(NC(C)=O)ncc2C)oc1-c1ccccc1Cl)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.38
EGLN3 Q9H6Z9 2/20 0.38
VEGFA P15692 1/20 0.38
FLT1 P17948 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSP90AB1 P08238 1/20 0.36
ABL1 P00519 6/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9106485 0.90 PIK3C3 (0.38) EGLN1EGLN3VEGFAFLT1PIK3C3
SCHEMBL9888733 0.90 PIK3C3 (0.38) EGLN1EGLN3VEGFAFLT1PIK3C3
SCHEMBL9104246 0.89 HSP90AB1 (0.46) EGLN1EGLN3VEGFAFLT1PIK3C3
SCHEMBL9108294 0.88 ALDH1A1 (0.44) EGLN1EGLN3VEGFAFLT1PIK3C3
SCHEMBL9888623 0.86 TSHR (0.41) PIK3C3ALDH1A1ABL1KMT2AMEN1
SCHEMBL9888615 0.86 PANK3 (0.41) EGLN1EGLN3VEGFAFLT1PIK3C3
SCHEMBL9109647 0.86 MAPT (0.43) EGLN1EGLN3PIK3C3ALDH1A1HSP90AB1
SCHEMBL16167733 0.85 PIK3C3 (0.38) EGLN1EGLN3VEGFAFLT1PIK3C3
SCHEMBL9108437 0.85 PIK3C3 (0.42) PIK3C3ALDH1A1ABL1KMT2AMEN1
SCHEMBL626595 0.85 PIK3C3 (0.42) PIK3C3ABL1MAPTRAB9AKDM4E

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 7 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
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
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 EGLN1 1077/4885EGLN3 439/4885VEGFA 1310/4885

“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.