SCHEMBL5044906

SCHEMBL5044906

CCNS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)c(OCC)c4)nc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.53
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 5/20 0.46
NR4A1 P22736 1/20 0.46
TSHR P16473 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 4/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 2/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 3/20 0.45
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 3/20 0.43

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
SCHEMBL5048289 0.92 THRB (0.55) THRBKDM4EKMT2ALMNAMEN1
SCHEMBL5044761 0.92 MAPT (0.56) THRBKDM4EKMT2ALMNAMEN1
SCHEMBL5048278 0.91 THRB (0.54) THRBKDM4EKMT2ALMNAMEN1
SCHEMBL5046439 0.90 THRB (0.51) THRBKDM4EKMT2ALMNAMEN1
SCHEMBL5040836 0.90 THRB (0.51) THRBKDM4EKMT2ALMNAMEN1
SCHEMBL5048295 0.87 THRB (0.54) THRBKDM4EKMT2ALMNAMEN1
SCHEMBL5049472 0.87 HSD17B10 (0.51) THRBKDM4EKMT2ALMNAMEN1
SCHEMBL5048338 0.87 KMT2A (0.61) THRBKDM4EKMT2ALMNAMEN1
SCHEMBL5041117 0.85 THRB (0.52) THRBKDM4EKMT2ALMNAMEN1
SCHEMBL5049372 0.85 THRB (0.49) THRBKDM4EKMT2ALMNAMEN1

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-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 THRB 1768/4885KDM4E 3638/4885KMT2A 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.