SCHEMBL1039755

SCHEMBL1039755

COc1cc(Nc2nc(N)c(F)c(-c3cccc(N)c3)n2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ DHFR P00374 1/20 0.49
▸ TYMS P04818 1/20 0.49
▸ AURKA O14965 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ FYN P06241 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ FLT3 P36888 2/20 0.45
▸ PRKD3 O94806 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ PRKCB P05771 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ PRKCA P17252 1/20 0.44

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
SCHEMBL1222450 0.87 AURKA (0.51) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL1038450 0.82 KDR (0.48) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL1220913 0.81 KDR (0.46) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL1899767 0.77 PTK2 (0.53) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL6976454 0.76 ZAP70 (0.71) MEN1KMT2AAURKAAURKBPRKD3
SCHEMBL29436275 0.73 KDR (0.44) MEN1KMT2AMAPTCYP1A2CYP2C9
Calcium SCHEMBL29436268 0.72 KDR (0.43) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL4407974 0.72 MEN1 (0.39) MEN1KMT2AMAPTTP53POLB
SCHEMBL12801657 0.72 SYK (0.51) MEN1KMT2AAURKAKDRFLT3
SCHEMBL12726123 0.72 SYK (0.74) AURKAKDRAURKBFYNFLT3

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-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
EP-2234986-A2 SULFAMIDES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2010-10-06 — — EP disclosed
WO-2009112490-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-09-17 — — WO disclosed
WO-2009080638-A2 SULFAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-07-02 — — 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 MEN1 4471/4885KMT2A 617/4885MAPT 4787/4885
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS ZAP70, SYK, LCK MEN1 4489/4885KMT2A 280/4885MAPT 4605/4885

“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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