SCHEMBL810390

SCHEMBL810390

Cc1ccc2c(Nc3cc(-c4nc5ccc(Br)cc5[nH]4)ccc3Oc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ MET P08581 4/20 0.42
▸ KDR P35968 4/20 0.42
▸ MMP2 P08253 3/20 0.40
▸ MMP9 P14780 3/20 0.40
▸ MMP8 P22894 3/20 0.40
▸ MMP13 P45452 3/20 0.40
▸ CHEK2 O96017 4/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ EGFR P00533 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
SCHEMBL811239 0.90 MET (0.40) PIM1AKT2METKDRMMP2
SCHEMBL810353 0.90 KDR (0.42) PIM1AKT2METKDRMMP2
SCHEMBL810979 0.82 MMP2 (0.45) METKDRMMP2MMP9MMP8
SCHEMBL810595 0.80 MET (0.41) METKDRMMP2MMP9MMP8
SCHEMBL1454372 0.75 KDR (0.47) PIM1AKT2KDR
SCHEMBL1454903 0.73 PIM1 (0.46) PIM1AKT2KDREGFR
SCHEMBL810708 0.70 PIM1 (0.69) PIM1AKT2KDRALKEGFR
SCHEMBL811307 0.69 NCOA1 (0.47) PIM1AKT2KDRNPC1NCOA1
SCHEMBL810554 0.68 PIM1 (0.45) PIM1AKT2KDRNPC1NCOA1
SCHEMBL1454896 0.68 KDR (0.49) KDREGFR

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 PIM1 2963/4885AKT2 3903/4885MET 1405/4885

“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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