SCHEMBL810979

SCHEMBL810979

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP8 P22894 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ MET P08581 5/20 0.42
▸ KDR P35968 5/20 0.42
▸ HPSE Q9Y251 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CHEK2 O96017 3/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ SYK P43405 1/20 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
SCHEMBL811239 0.92 MET (0.40) MMP2MMP9MMP8MMP13MET
SCHEMBL810595 0.89 MET (0.41) MMP2MMP9MMP8MMP13MET
SCHEMBL811384 0.86 MMP2 (0.44) MMP2MMP9MMP8MMP13MET
SCHEMBL810390 0.82 PIM1 (0.44) MMP2MMP9MMP8MMP13MET
SCHEMBL4973501 0.81 TTBK1 (0.39) —
SCHEMBL810353 0.79 KDR (0.42) MMP2MMP9MMP8MMP13MET
SCHEMBL13274067 0.77 TTBK1 (0.36) —
SCHEMBL1455292 0.76 KDR (0.47) KDRMEN1KMT2ALMNAMAPT
SCHEMBL1454619 0.75 KDR (0.47) KDRMAPT
SCHEMBL4973486 0.75 PARP10 (0.37) CHEK2

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.

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