SCHEMBL954791

SCHEMBL954791

N#Cc1sc(N)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MGAM O43451 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
RAB9A P51151 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MYC P01106 2/20 0.44
WDR5 P61964 2/20 0.44
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41

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
SCHEMBL952007 0.84 USP2 (0.43) KDM4EMGAMALDH1A1GAASI
SCHEMBL1850689 0.82 MYC (0.63) KDM4EALDH1A1DYRK1ACLK4MYC
SCHEMBL30309335 0.82 MYC (0.63) KDM4EALDH1A1DYRK1ACLK4MYC
SCHEMBL13257648 0.80 ALDH1A1 (0.54) KDM4EMGAMALDH1A1GAASI
SCHEMBL8546704 0.77 KDM4E (0.51) KDM4EMGAMALDH1A1GAASI
SCHEMBL1852794 0.77 ADORA1 (0.58) MYCWDR5DPP4
SCHEMBL23782480 0.75 KDM4E (0.55) KDM4EALDH1A1RAB9AMYCWDR5
SCHEMBL30173829 0.75 KDM4E (0.55) KDM4EALDH1A1RAB9AMYCWDR5
SCHEMBL31311334 0.74 MPL (0.47) KDM4EALDH1A1MYCWDR5USP2
SCHEMBL1848508 0.73 MYC (0.43) KDM4EALDH1A1MYCWDR5USP8

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 14 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
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 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-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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

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 1981/4885MGAM 1936/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KDM4E 2304/4885MGAM 3793/4885ALDH1A1 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.