SCHEMBL953401

SCHEMBL953401

COc1ccc(-c2nc(-c3c(C)nn4ccccc34)sc2C(=O)O)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR9 Q9NR96 1/20 0.38
EDNRB P24530 1/20 0.38
XDH P47989 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
MAOB P27338 1/20 0.36
ALPL P05186 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
SCHEMBL951780 0.91 HIF1A (0.39) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL956093 0.85 SMN1; SMN2 (0.38) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL954019 0.82 HTT (0.39) KDM4EALDH1A1MAPTRAB9AATM
SCHEMBL953922 0.81 MAP4K1 (0.36) SMN1; SMN2
SCHEMBL956374 0.81 KMT2A (0.39) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL956090 0.81 PTGS1 (0.36) RAB9ASMN1; SMN2
SCHEMBL953113 0.81 CDC7 (0.50) KDM4EPOLBKMT2AALDH1A1NPSR1
SCHEMBL953729 0.81 CTSA (0.35) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL955904 0.81 CDC7 (0.40) KDM4EMEN1KMT2AALDH1A1NPSR1
SCHEMBL953589 0.81 CDC7 (0.43) KDM4EPOLBKMT2AALDH1A1MAPT

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 KDM4E 1981/4885POLB 4355/4885MEN1 794/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KDM4E 2304/4885POLB 2653/4885MEN1 1649/4885

“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.