SCHEMBL997680

SCHEMBL997680

CC(=O)N1CCc2c([nH]c3ncccc23)C1c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.47
KIF11 P52732 5/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL1000407 0.92 MEN1 (0.53) STAT3KIF11ALDH1A1MEN1KMT2A
SCHEMBL1001208 0.91 STAT3 (0.49) STAT3KIF11ALDH1A1MEN1KMT2A
SCHEMBL998488 0.89 ABCB1 (0.56) STAT3KIF11ALDH1A1MEN1KMT2A
SCHEMBL998821 0.87 KIF11 (0.56) STAT3KIF11MEN1KMT2AKDM4E
SCHEMBL997315 0.87 ABCB1 (0.47) STAT3KIF11ALDH1A1MEN1KMT2A
SCHEMBL998836 0.86 KIF11 (0.47) STAT3KIF11ALDH1A1MEN1KMT2A
SCHEMBL997471 0.86 MAPT (0.55) KIF11MEN1KMT2APOLBRAB9A
SCHEMBL999130 0.86 TP53 (0.51) STAT3KIF11ALDH1A1MEN1KMT2A
SCHEMBL1000979 0.85 KIF11 (0.51) KIF11MEN1KMT2ARAB9AABCB1
SCHEMBL1000663 0.83 ABCB1 (0.56) KIF11MEN1KMT2AKDM4ERAB9A

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-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS STAT3 616/4885KIF11 4760/4885ALDH1A1 1422/4885

“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.