SCHEMBL811384

SCHEMBL811384

CC(C)c1ccc2c(Nc3cc(-c4nc5ccc(Br)cc5[nH]4)ccc3Sc3ccc(N)cc3)ncnc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ MET P08581 4/20 0.41
▸ KDR P35968 4/20 0.41
▸ PIM1 P11309 1/20 0.38
▸ AKT2 P31751 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35

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 0.86 MMP2 (0.45) MMP2MMP9MMP8MMP13MET
SCHEMBL12642236 0.84 PIM1 (0.42) PIM1AKT2KMT2A
SCHEMBL4976143 0.82 PIM1 (0.44) PIM1AKT2
SCHEMBL13305771 0.81 PIM1 (0.39) PIM1AKT2KMT2A
SCHEMBL811239 0.78 MET (0.40) MMP2MMP9MMP8MMP13MET
SCHEMBL15290715 0.78 PIM1 (0.41) PIM1AKT2
SCHEMBL12583274 0.77 PIM1 (0.41) PIM1AKT2
SCHEMBL810715 0.77 PIM1 (0.51) PIM1AKT2
SCHEMBL1454794 0.76 KDR (0.43) KDRPIM1AKT2
SCHEMBL13274102 0.76 PIM1 (0.45) PIM1AKT2

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 MMP2 3760/4885MMP9 2320/4885MMP8 2227/4885

“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