SCHEMBL1355874

SCHEMBL1355874

CS(=O)(=O)c1cc[c]c(NCCN2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.41
DRD2 P14416 1/20 0.40
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
NSD2 O96028 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 2/20 0.39
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
NMT1 P30419 1/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KAT2B Q92831 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL1355590 0.99 DRD2 (0.40) SIGMAR1DRD2APAF1NPC1NSD2
SCHEMBL1356124 0.88 ALDH1A1 (0.46) APAF1NSD2MAPTACHEMAPK1
SCHEMBL1353730 0.80 SLC6A9 (0.41) MEN1KMT2ACYP2D6KDM4ETSHR
SCHEMBL1355114 0.76 ALDH1A1 (0.35) MAPT
SCHEMBL4350048 0.76 KAT2B (0.32) MAPTKAT2B
SCHEMBL4361967 0.74 TOP2B (0.38) NPSR1TSHR
SCHEMBL2184093 0.72 ACHE (0.46) SIGMAR1APAF1NPC1NSD2MAPT
SCHEMBL3838436 0.72 DRD3 (0.44) SIGMAR1APAF1NPC1NSD2MAPT
SCHEMBL6291901 0.67 SIGMAR1 (0.69) SIGMAR1MAPTSMN1; SMN2MAPK1TP53
SCHEMBL28044533 0.66 HTR7 (0.47) SIGMAR1MAPK1TP53CYP2D6TSHR

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-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 SIGMAR1 2913/4885DRD2 4441/4885APAF1 3176/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 SIGMAR1 2913/4885DRD2 4441/4885APAF1 3176/4885

“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.