SCHEMBL3587609

SCHEMBL3587609

Cc1csc(C(S)c2cc(=O)[nH]c(=O)[nH]2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ESR2 Q92731 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
GLA P06280 1/20 0.30
SPR P35270 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL17141989 0.72 CA1 (0.34) CA1KDM4ENPC1HTTSMN1; SMN2
SCHEMBL14220775 0.65
SCHEMBL3587611 0.63 SMN1; SMN2 (0.47) KDM4ENPC1HTTSMN1; SMN2MAPT
SCHEMBL3593382 0.63 SMN1; SMN2 (0.32) NPC1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL27661275 0.63 ALDH1A1 (0.45) CA1SMN1; SMN2HSD17B10L3MBTL1GAA
SCHEMBL6901427 0.63 CA1 (0.50) CA1SMN1; SMN2
SCHEMBL10729798 0.60 CA1 (0.46) CA1TP53
SCHEMBL28263698 0.60 CA1 (0.46) CA1SMN1; SMN2
SCHEMBL60308 0.60
SCHEMBL25136295 0.59 CA1 (0.44) CA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 CA1 3342/4885KDM4E 1606/4885NPC1 543/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR CA1 2479/4885KDM4E 3799/4885NPC1 1529/4885

“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.