SCHEMBL13629416

SCHEMBL13629416

CCc1ccc(NS(=O)(=O)c2cccc(C)c2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 2/20 0.60
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
PKM P14618 3/20 0.55
PGR P06401 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PTPN2 P17706 2/20 0.49
PTPN1 P18031 2/20 0.49
PTPN5 P54829 2/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B2 P37059 1/20 0.48
PKLR P30613 1/20 0.48
KIT P10721 1/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL13853000 0.86 KMT2A (0.55) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL13852925 0.86 PKM (0.75) ALDH1A1MAPTPKMPGRHIF1A
SCHEMBL13629345 0.84 PGR (0.61) ALDH1A1HPGDKMT2AMEN1PKM
SCHEMBL13629414 0.84 MAPT (0.55) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL13629330 0.83 HSD17B2 (0.68) MAPTKMT2APKMPGRHIF1A
SCHEMBL15045213 0.81 KMT2A (0.71) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL21693592 0.80 KMT2A (0.73) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL13615051 0.79 KMT2A (0.56) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL13629423 0.78 CES1 (0.60) ALDH1A1MAPTPKMHIF1AGAA
SCHEMBL13629553 0.78 PKM (0.56) ALDH1A1MAPTPKMPGRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 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 (1 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-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK ALDH1A1 2121/4885MAPT 1353/4885HPGD 1970/4885

“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.