SCHEMBL956093

SCHEMBL956093

COc1cccc(OC)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
FABP4 P15090 2/20 0.37
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
HIF1A Q16665 1/20 0.35
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL956374 0.93 KMT2A (0.39) SMN1; SMN2FABP4KMT2AMAPTALDH1A1
SCHEMBL953922 0.93 MAP4K1 (0.36) SMN1; SMN2FABP4
SCHEMBL953764 0.91 PLK1 (0.37) CDC7DBF4HIF1AKMT2AMAPT
SCHEMBL951780 0.91 HIF1A (0.39) SMN1; SMN2HIF1AKDM4EMAPTALDH1A1
SCHEMBL957443 0.91 TSHR (0.39) SMN1; SMN2HIF1AKMT2AKDM4EMAPT
SCHEMBL953729 0.89 CTSA (0.35) SMN1; SMN2CDC7DBF4KMT2AKDM4E
SCHEMBL953401 0.85 KDM4E (0.42) SMN1; SMN2KMT2AKDM4EMAPTALDH1A1
SCHEMBL953870 0.85 SMN1; SMN2 (0.39) SMN1; SMN2CDC7DBF4KMT2AKDM4E
SCHEMBL953113 0.85 CDC7 (0.50) SMN1; SMN2CDC7DBF4KMT2AKDM4E
SCHEMBL953569 0.85 KMT2A (0.39) SMN1; SMN2CDC7DBF4KMT2AKDM4E

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 3758/4885FABP4 3067/4885CDC7 601/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SMN1; SMN2 3959/4885FABP4 2748/4885CDC7 1063/4885

“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.