SCHEMBL5045958

SCHEMBL5045958

O=C(Nc1cccc(S(=O)(=O)NCCc2ccncc2)c1)c1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 3/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 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
GBA1 P04062 1/20 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
SCHEMBL6470158 0.93 MAPK1 (0.57) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5041355 0.92 MAPK1 (0.59) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5044953 0.91 KDM4E (0.46) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5039123 0.89 MAPK1 (0.46) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5049501 0.88 MAPK1 (0.60) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5045729 0.88 MAPK1 (0.59) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5035346 0.88 MAPK1 (0.59) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5045352 0.88 MAPK1 (0.55) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5050012 0.88 MAPK1 (0.56) MAPK1KDM4EKMT2AHTTTP53
SCHEMBL5041995 0.88 MAPK1 (0.59) MAPK1KDM4EKMT2AHTTTP53

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 MAPK1 1732/4885KDM4E 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.