SCHEMBL954430

SCHEMBL954430

Cc1nc2ccc(-c3ccccc3)cn2c1-c1nc(-c2ccccc2)c(-c2nc[nH]n2)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
SLC2A2 P11168 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
TOP2A P11388 1/20 0.34
EPHB3 P54753 1/20 0.34
AKT1 P31749 6/20 0.34
AKT2 P31751 6/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL956034 0.91 GAA (0.38) CDC7DBF4NR1H4EPHB3AKT1
SCHEMBL954582 0.91 AKT1 (0.45) CDC7DBF4AKT1AKT2
SCHEMBL954401 0.90 L3MBTL1 (0.39) NR1H4KDM4EALDH1A1HPGDTSHR
SCHEMBL956657 0.88 AKT1 (0.40) CDC7DBF4AKT1AKT2NPC1
SCHEMBL954558 0.85 MAP4K1 (0.36)
SCHEMBL954429 0.85 AKT1 (0.40) SLC2A1CDC7DBF4AKT1AKT2
SCHEMBL954268 0.83 SLC2A1 (0.39) SLC2A1CDC7DBF4AKT1AKT2
SCHEMBL953332 0.80 KDR (0.39) SLC2A1SLC2A2AKT1AKT2ALDH1A1
SCHEMBL953702 0.76 PTGS2 (0.42) CDC7DBF4NPC1RAB9AKDM4E
SCHEMBL6842782 0.75 L3MBTL1 (0.39) NR1H4NPC1RAB9AKDM4EALDH1A1

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 SLC2A1 307/4885CDC7 601/4885DBF4 3288/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SLC2A1 1387/4885CDC7 1063/4885DBF4 3779/4885

“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.