SCHEMBL13629343

SCHEMBL13629343

CCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
METAP2 P50579 2/20 0.51
KIF11 P52732 1/20 0.50
KDM1A O60341 2/20 0.49
FFAR4 Q5NUL3 3/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 2/20 0.47
PTGES2 Q9H7Z7 1/20 0.47
BRD4 O60885 1/20 0.46
HSD11B1 P28845 1/20 0.46
CYP19A1 P11511 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL13852947 0.85 NPC1 (0.58) NPC1RAB9AMETAP2FFAR4CYP2C9
SCHEMBL16325550 0.83 FFAR4 (0.63) NPC1KIF11KDM1AFFAR4MAPT
SCHEMBL13615288 0.83 HSD17B2 (0.57) KIF11KDM1AFFAR4CYP2D6CYP2C9
SCHEMBL13852970 0.82 ALDH1A1 (0.60) NPC1RAB9AMETAP2FFAR4MAPT
SCHEMBL13852957 0.82 MCL1 (0.55) KIF11GAAL3MBTL1LMNAHTT
SCHEMBL13629420 0.82 MCL1 (0.56) MAPTL3MBTL1LMNA
SCHEMBL13629459 0.80 FFAR4 (0.71) NPC1RAB9AFFAR4CYP2C9HSD11B1
SCHEMBL7589492 0.80 PTGES2 (0.56) KDM1AFFAR4CYP2D6CYP2C9MAPT
SCHEMBL14403258 0.77 PTGES2 (0.65) RAB9ACYP2C9MAPTPTGES2HSD11B1
SCHEMBL17052984 0.77 FFAR4 (0.61) FFAR4MAPTCYP19A1KMT2AMEN1

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 2 patents. 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
US-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-05-07 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-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK NPC1 4525/4885RAB9A 3041/4885METAP2 2619/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK NPC1 4249/4885RAB9A 2467/4885METAP2 2542/4885

“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.