SCHEMBL952087

SCHEMBL952087

CC(=O)Nc1cc(C(N)=S)ccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PIK3C3 Q8NEB9 15/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
GSK3B P49841 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL8092962 0.87 L3MBTL1 (0.52) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL10264295 0.83 L3MBTL1 (0.55) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL256750 0.81 KDM4D (0.54) KDM4ELMNAL3MBTL1PIK3C3JAK2
SCHEMBL2998251 0.81 KDM4E (0.49) KDM4ECYP3A4CYP1A2L3MBTL1PIK3C3
SCHEMBL25188111 0.80 L3MBTL1 (0.52) CYP1A2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL5902110 0.80 CYP1A2 (0.54) KDM4ELMNACYP3A4TSHRCYP1A2
SCHEMBL19736346 0.79 PIP5K1C (0.56) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL2309698 0.79 KDM4E (0.55) KDM4EL3MBTL1PIK3C3JAK2JAK1
SCHEMBL31095588 0.79 KDM4E (0.55) KDM4EL3MBTL1PIK3C3JAK2JAK1
SCHEMBL2642300 0.78 L3MBTL1 (0.57) L3MBTL1PIK3C3JAK2JAK1TYK2

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 12 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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
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
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN 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
US-20110003806-A1 Heteroaryls and uses thereof 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
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 1981/4885LMNA 4454/4885CYP3A4 1179/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KDM4E 2304/4885LMNA 2019/4885CYP3A4 741/4885

“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.