SCHEMBL9888752

SCHEMBL9888752

CC(=O)Nc1cc(-c2nc(-c3cc(CN4CCCC4)ccc3Cl)c(-c3nnc[nH]3)o2)c(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
F10 P00742 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
WDR5 P61964 1/20 0.34
CCR3 P51677 4/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
CNR2 P34972 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CDK9 P50750 1/20 0.33
ABL1 P00519 1/20 0.32
PDK1 Q15118 1/20 0.32

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
SCHEMBL9890040 0.91 WDR5 (0.36) F10KDM4EALDH1A1WDR5CNR2
SCHEMBL9106023 0.87 S1PR4 (0.35) F10ALDH1A1PIK3C3HSP90AA1HSP90AB1
SCHEMBL9108830 0.85 KDM4E (0.36) USP2F10KDM4EALDH1A1GAA
SCHEMBL9105855 0.85 KDM4E (0.39) USP2F10KDM4EALDH1A1GAA
SCHEMBL627198 0.84 PIK3C3 (0.39) ALDH1A1PIK3C3ABL1
SCHEMBL9888724 0.83 KDM4E (0.38) USP2F10KDM4EALDH1A1GAA
SCHEMBL626895 0.79 PIK3C3 (0.39) PIK3C3ABL1
SCHEMBL9890493 0.78 WDR5 (0.36) F10KDM4EALDH1A1WDR5CNR2
SCHEMBL9890626 0.78 PIK3C3 (0.35) PIK3C3ABL1
SCHEMBL9107117 0.73 PIK3C3 (0.45) PIK3C3

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
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 USP2 714/4885F10 4242/4885KDM4E 2506/4885

“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.