SCHEMBL5041180

SCHEMBL5041180

CC(C)(CO)NS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(OC(F)(F)F)cc4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
HTT P42858 4/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.48
TSHR P16473 5/20 0.48
CASP1 P29466 4/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 3/20 0.48
CASP7 P55210 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
HSD17B10 Q99714 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 2/20 0.47
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
PKM P14618 1/20 0.46
NR4A1 P22736 1/20 0.45

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
SCHEMBL5036356 0.91 KIF18A (0.54) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL5050002 0.91 KIF18A (0.51) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL5035244 0.89 KDM4E (0.41) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL5048796 0.88 KDM4E (0.54) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL5040794 0.88 THRB (0.47) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL5048835 0.87 THRB (0.47) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL5047644 0.87 THRB (0.47) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL5045037 0.86 THRB (0.46) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL5042369 0.86 KDM4E (0.51) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL5049372 0.86 THRB (0.49) KDM4EHTTKMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US claimed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 KDM4E 3638/4885HTT 2091/4885KMT2A 3706/4885

“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.