SCHEMBL952540

SCHEMBL952540

Cc1nn2ccsc2c1-c1nc(-c2ccccc2)c(C#N)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 7/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 5/20 0.33
HSD17B10 Q99714 4/20 0.33
ADORA2A P29274 4/20 0.33
GRM5 P41594 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHEK1 O14757 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33

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
SCHEMBL954223 0.80 CDC7 (0.48) CDC7DBF4ALDH1A1KDM4EKMT2A
SCHEMBL955757 0.79 SMN1; SMN2 (0.41) CDC7DBF4ALDH1A1KDM4EMEN1
SCHEMBL958297 0.78 PDPK1 (0.39) CDC7DBF4ALDH1A1KDM4EMEN1
SCHEMBL954414 0.78 CDC7 (0.37) CDC7DBF4ALDH1A1KDM4EMEN1
SCHEMBL952078 0.78 CDC7 (0.50) CDC7DBF4ALDH1A1KDM4EMEN1
SCHEMBL13257022 0.78 KDM4E (0.55) CDC7DBF4ALDH1A1KDM4EHPGD
SCHEMBL957740 0.76 COMT (0.51) CDC7DBF4ALDH1A1KDM4EAPOBEC3G
SCHEMBL6842726 0.76 KDM4E (0.35) CDC7DBF4ALDH1A1KDM4EMEN1
SCHEMBL6842778 0.76 CYP1A1 (0.32) CDC7DBF4ALDH1A1KDM4EHPGD
SCHEMBL957451 0.75 KDM4E (0.33) CDC7DBF4ALDH1A1KDM4EHPGD

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 CDC7 601/4885DBF4 3288/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885ALDH1A1 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.