SCHEMBL5951832

SCHEMBL5951832

Cc1ccc2nc(-c3cc(C)[nH]n3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.60
METAP1 P53582 2/20 0.60
CBFB Q13951 1/20 0.60
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
PKM P14618 2/20 0.58
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 3/20 0.51
TP53 P04637 2/20 0.51
GFER P55789 1/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
ALOX5 P09917 1/20 0.50
EPHX2 P34913 1/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49

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
SCHEMBL5952973 0.84 METAP2 (0.57) METAP2METAP1CBFBNPC1ALDH1A1
SCHEMBL1528347 0.82 NPC1 (0.58) METAP2METAP1NPC1RAB9APKM
SCHEMBL18415732 0.82 NPC1 (0.59) METAP2METAP1CBFBNPC1RAB9A
SCHEMBL5953199 0.81 AURKA (0.58) METAP2METAP1CBFBNPC1RAB9A
SCHEMBL13850422 0.80 AURKA (0.48) METAP2METAP1CBFBNPC1RAB9A
SCHEMBL35044 0.79 AURKA (0.56) METAP2METAP1CBFBNPC1RAB9A
SCHEMBL34815 0.78 NPC1 (0.58) METAP2METAP1CBFBNPC1RAB9A
SCHEMBL20677813 0.78 NPC1 (0.75) METAP2METAP1CBFBNPC1RAB9A
SCHEMBL13599850 0.78 NPC1 (0.81) METAP2METAP1CBFBNPC1RAB9A
SCHEMBL5953465 0.77 AURKA (0.54) METAP2METAP1CBFBNPC1RAB9A

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 METAP2 3625/4885METAP1 3011/4885CBFB 3643/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A METAP2 3741/4885METAP1 1932/4885CBFB 4136/4885

“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.