SCHEMBL953773

SCHEMBL953773

COc1ccc(CNc2cc(C#N)cc(C)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
DYRK1A Q13627 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PDE5A O76074 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 4/20 0.48
VNN1 O95497 2/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL22122521 0.86 PDE5A (0.56) TSHRCLK4DYRK1AMEN1KMT2A
SCHEMBL9909927 0.81 TSHR (0.56) TSHRCLK4DYRK1AMEN1KMT2A
SCHEMBL20651456 0.81 MEN1 (0.53) TSHRCLK4DYRK1AMEN1KMT2A
SCHEMBL24690170 0.80 HTT (0.57) TSHRCLK4DYRK1AMEN1KMT2A
SCHEMBL30019455 0.80 HTT (0.57) TSHRCLK4DYRK1AMEN1KMT2A
SCHEMBL4300168 0.80 MEN1 (0.56) TSHRCLK4DYRK1AMEN1KMT2A
SCHEMBL439371 0.80 CLK4 (0.66) TSHRCLK4DYRK1AMEN1KMT2A
SCHEMBL28248607 0.79 MAPT (0.55) TSHRCLK4DYRK1AMEN1KMT2A
SCHEMBL2377030 0.78 PDE5A (0.49) TSHRCLK4DYRK1AMEN1KMT2A
SCHEMBL27730117 0.78 HPGDS (0.54) TSHRCLK4DYRK1AMEN1KMT2A

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 TSHR 1608/4885CLK4 1896/4885DYRK1A 2864/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TSHR 2433/4885CLK4 3458/4885DYRK1A 3119/4885

“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.