SCHEMBL4832973

SCHEMBL4832973

CC(O)CNc1nc(Sc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.33
AURKA O14965 3/20 0.33
AURKB Q96GD4 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.32
LMNA P02545 2/20 0.32
MAPK14 Q16539 6/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
GSK3A P49840 1/20 0.31
DGAT2 Q96PD7 2/20 0.31
ALPL P05186 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL14018786 1.00 GSK3B (0.33) GSK3BAURKAAURKBTP53ATM
SCHEMBL4840461 0.86 CXCR2 (0.37) GSK3BAURKAAURKBDGAT2
SCHEMBL14018799 0.86 CXCR2 (0.37) GSK3BAURKAAURKBDGAT2
SCHEMBL4020677 0.83 KMT2A (0.37) AURKAAURKBMAPK14
SCHEMBL4020686 0.83 KMT2A (0.37) AURKAAURKBMAPK14
SCHEMBL4017603 0.82 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL4017610 0.82 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL14018819 0.82 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL14019016 0.80 PDE10A (0.33) GSK3BMAPK14GSK3ADGAT2
SCHEMBL4844511 0.80 PDE10A (0.33) GSK3BMAPK14GSK3ADGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US claimed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 GSK3B 1782/4885AURKA 515/4885AURKB 156/4885

“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.