SCHEMBL998115

SCHEMBL998115

CC(=O)N1CCc2c([nH]c3cncnc23)C1c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.52
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
ABCB1 P08183 5/20 0.40
ABCG2 Q9UNQ0 5/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL1078686 0.90 KIF11 (0.48) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL998196 0.87 KIF11 (0.56) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL998559 0.85 KIF11 (0.48) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL998180 0.85 KIF11 (0.52) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL997430 0.84 KIF11 (0.61) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL997834 0.82 KIF11 (0.38) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL998321 0.82 KIF11 (0.61) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL998701 0.82 KIF11 (0.50) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL997542 0.81 KIF11 (0.38) KIF11MAPTMEN1KMT2ANPSR1
SCHEMBL2032722 0.81 KIF11 (0.52) KIF11MAPTNPSR1TP53ABCB1

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 KIF11 4760/4885MAPT 4705/4885MEN1 1017/4885

“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.