SCHEMBL626595

SCHEMBL626595

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.42
ABL1 P00519 6/20 0.38
MAPT P10636 3/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
THRB P10828 2/20 0.37
IKBKB O14920 1/20 0.37
PTK2 Q05397 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
AGPAT2 O15120 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL627354 0.91 PIK3C3 (0.43) PIK3C3ABL1MAPTIKBKBPTK2
SCHEMBL626066 0.90 PIK3C3 (0.45) PIK3C3ABL1IKBKBPTK2TDP1
SCHEMBL626529 0.89 IKBKB (0.47) PIK3C3ABL1MAPTIKBKBPTK2
SCHEMBL9108437 0.89 PIK3C3 (0.42) PIK3C3ABL1MAPTIKBKBPTK2
SCHEMBL627473 0.88 PIK3C3 (0.39) PIK3C3ABL1THRBIKBKBPTK2
SCHEMBL9888623 0.88 TSHR (0.41) PIK3C3ABL1MAPTIKBKBPTK2
SCHEMBL9109069 0.88 PIK3C3 (0.41) PIK3C3ABL1IKBKBPTK2TDP1
SCHEMBL9104246 0.87 HSP90AB1 (0.46) PIK3C3ABL1MAPTTDP1KDM4E
SCHEMBL9108294 0.87 ALDH1A1 (0.44) PIK3C3ABL1MAPTKDM4ERAB9A
SCHEMBL627007 0.85 EGLN1 (0.38) PIK3C3ABL1MAPTTDP1KDM4E

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-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

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 52/4885ABL1 652/4885MAPT 4237/4885

“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.