SCHEMBL5953465

SCHEMBL5953465

Cc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.54
AURKB Q96GD4 3/20 0.54
RHEB Q15382 4/20 0.50
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
AMY1A P0DUB6 2/20 0.43
METAP1 P53582 2/20 0.43
CBFB Q13951 2/20 0.43
METAP2 P50579 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
LMNA P02545 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39

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
SCHEMBL13850423 0.86 AURKA (0.48) AURKAAURKBRHEBGAAHTT
SCHEMBL5953199 0.85 AURKA (0.58) AURKAAURKBMEN1NPC1RAB9A
SCHEMBL35044 0.82 AURKA (0.56) AURKAAURKBGAAMEN1NPC1
SCHEMBL5952973 0.81 METAP2 (0.57) AURKAAURKBMEN1NPC1KMT2A
SCHEMBL4953688 0.79 AURKA (0.60) AURKAAURKBNPC1RAB9AKMT2A
SCHEMBL5952179 0.79 AMY1A (0.43) AURKAAURKBRHEBGAAHTT
SCHEMBL5951832 0.77 METAP2 (0.60) AURKAAURKBGAAHTTNPC1
SCHEMBL5952857 0.77 RAB9A (0.51) RHEBGAAHTTMEN1NPC1
SCHEMBL1528347 0.75 NPC1 (0.58) AURKAAURKBGAAHTTMEN1
SCHEMBL17255243 0.75 RHEB (0.48) RHEBMEN1NPC1RAB9AKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 AURKA 91/4885AURKB 89/4885RHEB 3773/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A AURKA 114/4885AURKB 133/4885RHEB 4225/4885

“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.