SCHEMBL1000704

SCHEMBL1000704

COC(=O)N1C(c2cccc(F)c2)c2[nH]c3ncccc3c2CC12CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RPS6KB1 P23443 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 2/20 0.34
OPRK1 P41145 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
ABCB1 P08183 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NTRK1 P04629 2/20 0.33
ESR1 P03372 1/20 0.33
MAPT P10636 1/20 0.33
PABPC1 P11940 1/20 0.33
P2RX7 Q99572 1/20 0.33
CALCRL Q16602 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
SCHEMBL999387 0.88 KIF11 (0.36) KIF11RXFP1CYP1A2CYP2D6CYP2C19
SCHEMBL998302 0.88 KIF11 (0.37) KIF11CYP1A2CYP2D6CYP2C19RPS6KB1
SCHEMBL998800 0.86 KIF11 (0.39) KIF11RXFP1CYP1A2CYP2D6CYP2C19
SCHEMBL998567 0.86 KIF11 (0.40) KIF11CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL999957 0.86 KIF11 (0.38) KIF11CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL996764 0.85 KIF11 (0.36) KIF11RXFP1CYP1A2CYP2D6CYP2C19
SCHEMBL999124 0.81 KIF11 (0.50) KIF11ABCB1ABCG2NPSR1MAPT
SCHEMBL998702 0.80 KIF11 (0.36) KIF11CYP1A2CYP2D6CYP2C19RPS6KB1
SCHEMBL1000865 0.79 ALDH1A1 (0.37) KIF11RXFP1CYP1A2CYP2D6CYP2C19
SCHEMBL997628 0.79 KIF11 (0.37) KIF11RXFP1CYP2D6ALDH1A1OPRK1

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 4760/4885RXFP1 2018/4885CYP1A2 274/4885

“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.