SCHEMBL998501

SCHEMBL998501

COC(=O)N1CCc2c([nH]c3nccnc23)C1c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.49
MAPT P10636 2/20 0.42
TP53 P04637 4/20 0.41
ABCB1 P08183 4/20 0.41
ABCG2 Q9UNQ0 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL998701 0.90 KIF11 (0.50) KIF11MAPTTP53LMNA
SCHEMBL997309 0.89 KIF11 (0.51) KIF11MAPTTP53ABCB1ABCG2
SCHEMBL999124 0.88 KIF11 (0.50) KIF11MAPTTP53ABCB1ABCG2
SCHEMBL997469 0.84 KIF11 (0.49) KIF11MAPTTP53
SCHEMBL1078686 0.83 KIF11 (0.48) KIF11MAPTTP53ABCB1ABCG2
SCHEMBL998824 0.82 KIF11 (0.55) KIF11MAPTTP53ABCB1ABCG2
SCHEMBL1000700 0.82 KIF11 (0.53) KIF11MAPTTP53ABCB1ABCG2
SCHEMBL1001204 0.82 KIF11 (0.51) KIF11MAPTTP53ABCB1ABCG2
SCHEMBL999494 0.82 ALDH1A1 (0.37) KIF11TP53
SCHEMBL999387 0.81 KIF11 (0.36) KIF11

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 4705/4885TP53 945/4885

“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.