SCHEMBL5049989

SCHEMBL5049989

CCOc1cc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)c3n2)ccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
LMNA P02545 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
SCHEMBL5049998 0.94 MAPK1 (0.55) MAPTKDM4EKMT2AHTTMAPK1
SCHEMBL5045539 0.94 MAPT (0.58) MAPTKDM4EKMT2AHTTMAPK1
SCHEMBL5044761 0.92 MAPT (0.56) MAPTKDM4EKMT2AHTTMAPK1
SCHEMBL5048278 0.91 THRB (0.54) MAPTKDM4EKMT2AHTTMAPK1
SCHEMBL5032681 0.90 KDM4E (0.47) MAPTKDM4EKMT2AHTTMAPK1
SCHEMBL5045928 0.89 MAPT (0.53) MAPTKDM4EKMT2AHTTMAPK1
SCHEMBL5041073 0.89 MAPT (0.53) MAPTKDM4EKMT2AHTTMAPK1
SCHEMBL5047718 0.89 KMT2A (0.72) MAPTKDM4EKMT2AHTTMAPK1
SCHEMBL5046623 0.89 KDM4E (0.56) MAPTKDM4EKMT2AHTTMAPK1
SCHEMBL5048323 0.88 MAPK1 (0.57) MAPTKDM4EKMT2AHTTMAPK1

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 MAPT 844/4885KDM4E 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.