SCHEMBL953608

SCHEMBL953608

C=CCOc1nc(-c2c(C)nn3ccccc23)sc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.33
VCP P55072 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
TARBP2 Q15633 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL956509 0.91 CDC7 (0.35) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL952918 0.90 BLM (0.36) SMN1; SMN2KDM4EKMT2APOLBALDH1A1
SCHEMBL954881 0.88 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EKMT2AALDH1A1MEN1
SCHEMBL951849 0.86 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EKMT2AALDH1A1MEN1
SCHEMBL952685 0.79 LMNA (0.46) SMN1; SMN2KDM4EALDH1A1HSD17B10MAPT
SCHEMBL952001 0.79 CDC7 (0.37) KDM4EALDH1A1HSD17B10L3MBTL1MIF
SCHEMBL954065 0.78 PLK1 (0.41) SMN1; SMN2KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL954624 0.78 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EKMT2APOLBALDH1A1
SCHEMBL953720 0.78 TRPM8 (0.40) SMN1; SMN2KDM4EKMT2AALDH1A1MEN1
SCHEMBL952316 0.77 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EKMT2APOLBALDH1A1

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 SMN1; SMN2 3758/4885KDM4E 1981/4885KMT2A 2441/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SMN1; SMN2 3959/4885KDM4E 2304/4885KMT2A 2459/4885

“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.