SCHEMBL1038450

SCHEMBL1038450

COc1cc(Nc2nc(N)c(F)c(-c3ccccc3N)n2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.48
▸ AURKA O14965 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ DHFR P00374 1/20 0.47
▸ TYMS P04818 1/20 0.47
▸ BRAF P15056 4/20 0.44
▸ AXL P30530 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ IGF1R P08069 2/20 0.44
▸ RPS6KA2 Q15349 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL1220913 0.86 KDR (0.46) KDRAURKAAURKBMAPTMEN1
SCHEMBL1222450 0.82 AURKA (0.51) KDRAURKAAURKBMAPTMEN1
SCHEMBL1039755 0.82 MEN1 (0.50) KDRAURKAAURKBMAPTMEN1
SCHEMBL29436275 0.73 KDR (0.44) KDRAURKAAURKBMAPTMEN1
Calcium SCHEMBL29436268 0.72 KDR (0.43) KDRAURKAAURKBMAPTMEN1
SCHEMBL13955883 0.71 IGF1R (0.59) KDRAURKAAURKBFLT3BRAF
SCHEMBL6981443 0.71 MEN1 (0.58) KDRAURKAAURKBMAPTMEN1
SCHEMBL4473977 0.70 KDR (0.70) KDRAURKAAURKBDHFRIGF1R
SCHEMBL29430427 0.70 KDR (0.70) KDRAURKAAURKBDHFRIGF1R
SCHEMBL12726125 0.69 SYK (0.62) KDRAURKAAURKBFLT3BRAF

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-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 — — US disclosed
US-20110028405-A1 SULFAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2011-02-03 — — US disclosed
EP-2276747-A1 SULFONAMIDES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2011-01-26 — — EP disclosed
WO-2009112490-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-09-17 — — 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-20110028405-A1 SULFAMIDES AS ZAP-70 INHIBITORS ZAP70, SYK, LCK KDR 4181/4885AURKA 3725/4885AURKB 3812/4885
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS ZAP70, SYK, LCK KDR 3836/4885AURKA 2189/4885AURKB 2945/4885

“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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