SCHEMBL999957

SCHEMBL999957

COC(=O)N1C(c2cccc(F)c2)c2[nH]c3cnccc3c2CC12CC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
ROCK2 O75116 3/20 0.37
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
CHUK O15111 2/20 0.36
ICOSLG O75144 2/20 0.36
ICOS Q9Y6W8 2/20 0.36
MAPT P10636 2/20 0.36
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 3/20 0.33
LMNA P02545 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL998567 0.93 KIF11 (0.40) KIF11ABCB1ABCG2MAPTESR1
SCHEMBL6007489 0.89 KIF11 (0.39) KIF11ROCK2ABCB1ABCG2CHUK
SCHEMBL1000704 0.86 KIF11 (0.36) KIF11ABCB1ABCG2MAPTESR1
SCHEMBL998702 0.85 KIF11 (0.36) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL998662 0.85 KIF11 (0.39) KIF11ROCK2MAPTESR1ALDH1A1
SCHEMBL998302 0.84 KIF11 (0.37) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL998800 0.83 KIF11 (0.39) KIF11ABCB1ABCG2ESR1ALDH1A1
SCHEMBL999387 0.83 KIF11 (0.36) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL998181 0.83 KIF11 (0.42) KIF11ABCB1ABCG2MAPTESR1
SCHEMBL1000700 0.82 KIF11 (0.53) KIF11ABCB1ABCG2MAPTTP53

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 2 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

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 4760/4885ROCK2 4107/4885ABCB1 307/4885

“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.