SCHEMBL1222450

SCHEMBL1222450

COc1cc(Nc2nc(N)c(F)c(-c3ccc(N)cc3)n2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DHFR P00374 1/20 0.49
▸ TYMS P04818 1/20 0.49
▸ TUBB4A P04350 3/20 0.48
▸ TUBB P07437 3/20 0.48
▸ TUBA3C P0DPH7 3/20 0.48
▸ TUBA1B P68363 3/20 0.48
▸ TUBA4A P68366 3/20 0.48
▸ TUBB4B P68371 3/20 0.48
▸ TUBB3 Q13509 3/20 0.48
▸ TUBB2A Q13885 3/20 0.48
▸ TUBB8 Q3ZCM7 3/20 0.48

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
SCHEMBL1039755 0.87 MEN1 (0.50) AURKAKDRAURKBMAPTMEN1
SCHEMBL1038450 0.82 KDR (0.48) AURKAKDRAURKBMAPTMEN1
SCHEMBL1220913 0.80 KDR (0.46) AURKAKDRAURKBMAPTMEN1
SCHEMBL29436275 0.76 KDR (0.44) AURKAKDRAURKBMAPTMEN1
Calcium SCHEMBL29436268 0.75 KDR (0.43) AURKAKDRAURKBMAPTMEN1
SCHEMBL6977451 0.74 CDK2 (0.78) AURKAAURKBJAK2EGFRCDK2
SCHEMBL13955883 0.73 IGF1R (0.59) AURKAKDRAURKBFLT3JAK2
SCHEMBL4473977 0.73 KDR (0.70) AURKAKDRAURKBDHFRPLK1
SCHEMBL29430427 0.73 KDR (0.70) AURKAKDRAURKBDHFRPLK1
SCHEMBL12726126 0.72 SYK (0.70) AURKAKDRAURKBPLK1FLT3

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 2 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

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 AURKA 3725/4885KDR 4181/4885AURKB 3812/4885
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS ZAP70, SYK, LCK AURKA 2189/4885KDR 3836/4885AURKB 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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