SCHEMBL5049503

SCHEMBL5049503

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
KMT2A Q03164 3/20 0.64
HTT P42858 2/20 0.64
MAPK1 P28482 2/20 0.61
TP53 P04637 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
THRB P10828 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL5049993 0.92 KDM4E (0.66) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5042369 0.90 KDM4E (0.51) KDM4EKMT2AHTTMAPK1POLB
SCHEMBL5048467 0.90 MAPK1 (0.64) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5034984 0.88 KDM4E (0.54) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5041958 0.88 MAPK1 (0.65) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5048285 0.85 MAPK1 (0.58) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5042023 0.85 MAPK1 (0.64) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5048323 0.84 MAPK1 (0.57) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5041939 0.84 MAPK1 (0.59) KDM4EKMT2AHTTMAPK1TP53
SCHEMBL5049998 0.83 MAPK1 (0.55) KDM4EKMT2AHTTMAPK1TP53

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 3638/4885KMT2A 3706/4885HTT 2091/4885

“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.