SCHEMBL4264648

SCHEMBL4264648

Cn1nc(-c2cccc(OCF)c2)c2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38
▸ AXL P30530 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ TLR7 Q9NYK1 8/20 0.35
▸ TLR9 Q9NR96 7/20 0.35
▸ TLR8 Q9NR97 7/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ SDHB P21912 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL6222690 0.80 GRM5 (0.44) MERTKGRM5RIPK1KDM4EALDH1A1
SCHEMBL4228716 0.75 TLR7 (0.48) TLR7TLR9TLR8KDM4EALDH1A1
SCHEMBL4262106 0.75 TLR7 (0.45) EGFRCYP3A4KCNH2TLR7TLR9
SCHEMBL4263914 0.73 MERTK (0.38) EGFRMERTKTLR7TLR9TLR8
SCHEMBL4266481 0.70 TLR7 (0.48) EGFRTLR7TLR9TLR8GRM5
SCHEMBL4048899 0.70 JAK2 (0.52) KCNH2TLR7TLR9TLR8PIK3CA
SCHEMBL4261932 0.68 CYP17A1 (0.44) EGFRCYP3A4TLR7TLR9TLR8
SCHEMBL4255983 0.68 CA12 (0.40) TLR9RIPK1USP2ALDH1A1LMNA
SCHEMBL30881473 0.68 ALOX5 (0.47) EGFRMERTKKDM4EALDH1A1LMNA
SCHEMBL27244011 0.68 ALOX5 (0.47) EGFRMERTKKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 — — 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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 EGFR 1469/4885CYP3A4 957/4885BRAF 118/4885

“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.

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