SCHEMBL956374

SCHEMBL956374

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SCN3A Q9NY46 1/20 0.36
CTSA P10619 5/20 0.36
EIF4E P06730 1/20 0.35
FABP4 P15090 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33
PDE2A O00408 1/20 0.33
PDE6D O43924 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 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
SCHEMBL956093 0.93 SMN1; SMN2 (0.38) KMT2AMAPTALDH1A1HPGDFABP4
SCHEMBL953569 0.92 KMT2A (0.39) KMT2AMAPTALDH1A1HPGDSCN3A
SCHEMBL953959 0.92 KMT2A (0.39) KMT2AMAPTALDH1A1HPGDSCN3A
SCHEMBL953922 0.89 MAP4K1 (0.36) CTSAFABP4SMN1; SMN2
SCHEMBL952060 0.87 SCN3A (0.39) KMT2AMAPTALDH1A1SCN3AMEN1
SCHEMBL951780 0.87 HIF1A (0.39) MAPTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL957443 0.85 TSHR (0.39) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL953764 0.85 PLK1 (0.37) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL953589 0.84 CDC7 (0.43) KMT2AMAPTALDH1A1HPGDSCN3A
SCHEMBL953729 0.84 CTSA (0.35) KMT2AMAPTCTSAMEN1SMN1; SMN2

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 KMT2A 2441/4885MAPT 2049/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KMT2A 2459/4885MAPT 4530/4885ALDH1A1 728/4885

“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.