SCHEMBL811239

SCHEMBL811239

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.40
▸ KDR P35968 5/20 0.40
▸ MMP2 P08253 3/20 0.38
▸ MMP9 P14780 3/20 0.38
▸ MMP8 P22894 3/20 0.38
▸ MMP13 P45452 3/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ CHEK2 O96017 3/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 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
SCHEMBL810979 0.92 MMP2 (0.45) METKDRMMP2MMP9MMP8
SCHEMBL810390 0.90 PIM1 (0.44) METKDRMMP2MMP9MMP8
SCHEMBL810595 0.90 MET (0.41) METKDRMMP2MMP9MMP8
SCHEMBL810353 0.80 KDR (0.42) METKDRMMP2MMP9MMP8
SCHEMBL810554 0.79 PIM1 (0.45) KDRNPC1NCOA1NCOA3ALK
SCHEMBL811538 0.78 PIM1 (0.41) KDRNCOA1NCOA3ALKPIM1
SCHEMBL811384 0.78 MMP2 (0.44) METKDRMMP2MMP9MMP8
SCHEMBL810445 0.78 PIM1 (0.38) KDRPIM1AKT2MAPT
SCHEMBL811418 0.77 PIM1 (0.45) KDRPIM1AKT2EGFRMAPT
SCHEMBL13274116 0.77 PIM1 (0.38) KDRALKPIM1AKT2EGFR

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
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
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 — — EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 — — US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 — — 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 (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 3293/4885MMP2 3760/4885

“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.

Send feedback