SCHEMBL953778

SCHEMBL953778

Cc1nc2ccc(Br)cn2c1C(N)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
G6PD P11413 1/20 0.42
TGFBR1 P36897 1/20 0.39
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
PSD A5PKW4 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL954299 0.84 EPHB3 (0.56) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL954716 0.79 EPHB3 (0.57) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL29690171 0.79 EPHB3 (0.51) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL4256814 0.79 KMT2A (0.58) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL12850522 0.78 EPHB3 (0.60) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL8312175 0.77 EPHB3 (0.49) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL975608 0.74 GAA (0.58) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL954228 0.74 KMT2A (0.64) GAAALDH1A1POLBKDM4ELMNA
SCHEMBL6223693 0.74 MAPK1 (0.63) EPHB3ALDH1A1POLBKDM4ELMNA
SCHEMBL18766608 0.74 EPHB3 (0.58) EPHB3GAAALDH1A1POLBKDM4E

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 EPHB3 4319/4885GAA 1418/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 EPHB3 2375/4885GAA 1693/4885ALDH1A1 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.