SCHEMBL5458267

SCHEMBL5458267

CN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nn2c(NC3CCCC3)nccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CSNK1E P49674 1/20 0.37
GRIA1 P42261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 7/20 0.34
MAPK10 P53779 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL5458270 1.00 MEN1 (0.38) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL5455918 0.85 CSNK1E (0.41) CSNK1EGRIA1CYP1A2CYP2C19MAPK14
SCHEMBL5457485 0.85 TDP1 (0.39) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL5457488 0.85 TDP1 (0.39) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL5457810 0.78 CYP1A2 (0.41) MEN1KMT2AGRIA1CYP1A2CYP2C19
SCHEMBL5457805 0.78 CYP1A2 (0.41) MEN1KMT2AGRIA1CYP1A2CYP2C19
SCHEMBL5217022 0.76 HTT (0.39) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL5217016 0.76 HTT (0.39) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL5943287 0.74 ALDH1A1 (0.39) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL5943280 0.74 ALDH1A1 (0.39) MEN1KMT2AUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
EP-1485385-B1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
US-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION 2005-06-09 US disclosed
EP-1485385-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham Corporation (US) 2004-12-15 EP disclosed
WO-2003076441-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO 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 (2 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-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them CYP3A5, CYP3A4, CYP3A7 MEN1 2825/4885KMT2A 2471/4885USP2 4303/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 MEN1 2825/4885KMT2A 2471/4885USP2 4303/4885

“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.