SCHEMBL13629409

SCHEMBL13629409

CCc1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.60
RORA P35398 1/20 0.56
RORC P51449 1/20 0.56
NR1H2 P55055 1/20 0.56
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.54
AURKA O14965 1/20 0.53
KDR P35968 1/20 0.53
AURKB Q96GD4 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL13629345 0.86 PGR (0.61) PGRRORARORCNR1H2ALDH1A1
SCHEMBL13629400 0.86 CYP19A1 (0.61) PGRALDH1A1LMNAPKMHPGD
SCHEMBL13853000 0.83 KMT2A (0.55) PGRALDH1A1LMNAPKMHPGD
SCHEMBL13629418 0.82 PKM (0.61) PGRALDH1A1LMNAPKMKDR
SCHEMBL13615138 0.81 PGR (0.58) PGRRORARORCNR1H2ALDH1A1
SCHEMBL13629410 0.80 HSD17B2 (0.61) PGRLMNAGAAHDAC1HDAC8
SCHEMBL13853023 0.79 SMN1; SMN2 (0.66) ALDH1A1LMNASMN1; SMN2GAAMAPK1
SCHEMBL3758000 0.77 PGR (0.83) PGRRORARORCNR1H2ALDH1A1
SCHEMBL6701809 0.76 AURKA (0.70) PGRRORARORCNR1H2ALDH1A1
SCHEMBL13853028 0.76 SLC22A12 (0.54) LMNAPKMHPGDSMN1; SMN2GAA

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 PGR 1648/4885RORA 2358/4885RORC 1895/4885

“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.