SCHEMBL810595

SCHEMBL810595

CC(C)c1ccc2c(Nc3cc(-c4nc5ccc(Br)cc5[nH]4)ccc3Oc3ccc(OCc4ccccc4)cc3)ncnc2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.41
▸ KDR P35968 4/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ EGFR P00533 2/20 0.39
▸ ERBB2 P04626 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ LTC4S Q16873 1/20 0.39
▸ SCD O00767 1/20 0.38
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP8 P22894 2/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ PRMT5 O14744 3/20 0.36

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
SCHEMBL810353 0.91 KDR (0.42) METKDRCHEK2EGFRERBB2
SCHEMBL811239 0.90 MET (0.40) METKDRCHEK2EGFRMMP2
SCHEMBL810979 0.89 MMP2 (0.45) METKDRCHEK2MMP2MMP9
SCHEMBL810390 0.80 PIM1 (0.44) METKDRCHEK2EGFRMMP2
SCHEMBL811052 0.79 MAPT (0.47) KDRCHEK2EGFRERBB2
SCHEMBL1455253 0.78 AURKA (0.49) KDREGFRERBB2
SCHEMBL1455928 0.78 EGFR (0.41) KDREGFRERBB2
SCHEMBL810554 0.77 PIM1 (0.45) KDREGFRERBB2
SCHEMBL811418 0.77 PIM1 (0.45) KDREGFR
SCHEMBL1455328 0.77 AURKA (0.43) EGFRERBB2

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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 — — EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 — — EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 — — US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 — — 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MET 1405/4885KDR 3293/4885CHEK2 4511/4885

“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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