SCHEMBL952167

SCHEMBL952167

CCn1cc(C(N)=S)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
NAMPT P43490 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 5/20 0.41
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
COMT P21964 1/20 0.39
GAA P10253 4/20 0.36
KDM4E B2RXH2 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.33
GLA P06280 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 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
SCHEMBL952140 0.81 L3MBTL1 (0.50) SMN1; SMN2HTTNAMPTL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4239294 0.80 NAMPT (0.45) SMN1; SMN2HTTNAMPTL3MBTL1ALDH1A1
SCHEMBL334433 0.76 NAMPT (0.54) SMN1; SMN2HTTNAMPTL3MBTL1ALDH1A1
SCHEMBL954236 0.76 L3MBTL1 (0.56) SMN1; SMN2HTTNAMPTL3MBTL1ALDH1A1
SCHEMBL22979377 0.75 NAMPT (0.57) SMN1; SMN2HTTNAMPTL3MBTL1ALDH1A1
SCHEMBL22976065 0.74 ALDH1A1 (0.51) SMN1; SMN2HTTNAMPTL3MBTL1ALDH1A1
SCHEMBL23273647 0.71 L3MBTL1 (0.47) SMN1; SMN2HTTNAMPTL3MBTL1ALDH1A1
SCHEMBL841237 0.71 ALDH1A1 (0.51) SMN1; SMN2HTTNAMPTL3MBTL1ALDH1A1
SCHEMBL267216 0.70
SCHEMBL9950869 0.70

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 3758/4885HTT 2250/4885NAMPT 328/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SMN1; SMN2 3959/4885HTT 75/4885NAMPT 2727/4885

“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.