SCHEMBL1646087

SCHEMBL1646087

NC(=O)n1nc(-c2nc3ccccc3[nH]2)[c]c1C1(C(=O)O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LANCL2 Q9NS86 1/20 0.35
ABCB11 O95342 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BTK Q06187 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34

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
SCHEMBL5953346 0.73 PLG (0.34) RAB9ANPC1TP53TDP1HPSE
SCHEMBL5546990 0.67 KDM4E (0.46) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL7139004 0.60 RAB9A (0.51) RAB9AALDH1A1NPC1SMN1; SMN2TP53
Terephthalamide SCHEMBL2641517 0.59 CHEK2 (0.76) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL10432890 0.59 BCHE (0.43) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL172216 0.58 NPC1 (1.00) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL30634854 0.58 NPC1 (1.00) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL30561047 0.58 NPC1 (1.00) KDM4ERAB9AALDH1A1HPGDNPC1
SCHEMBL25879554 0.58 LANCL2 (0.71) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL585626 0.58 NPC1 (0.60) KDM4ERAB9AALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP 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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 KDM4E 942/4885RAB9A 3925/4885ALDH1A1 2449/4885

“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.