SCHEMBL998800

SCHEMBL998800

COC(=O)N1C(c2cccc(F)c2)c2[nH]c3cccnc3c2CC12CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
SLC40A1 Q9NP59 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
KCNMA1 Q12791 1/20 0.35
TNKS O95271 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RPS6KB1 P23443 1/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRK1 P41145 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
NTRK1 P04629 1/20 0.33
ESR1 P03372 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
SCHEMBL999103 0.90 KIF11 (0.40) KIF11SLC40A1RXFP1TNKSCYP1A2
SCHEMBL999387 0.89 KIF11 (0.36) KIF11SLC40A1RXFP1TNKSCYP1A2
SCHEMBL998702 0.88 KIF11 (0.36) KIF11CYP1A2CYP2D6CYP2C19RPS6KB1
SCHEMBL1000704 0.86 KIF11 (0.36) KIF11SLC40A1RXFP1CYP1A2CYP2D6
SCHEMBL996597 0.85 KIF11 (0.39) KIF11SLC40A1RXFP1TNKSCYP2D6
SCHEMBL998567 0.83 KIF11 (0.40) KIF11CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL999957 0.83 KIF11 (0.38) KIF11CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL997309 0.82 KIF11 (0.51) KIF11LMNATP53NPSR1ABCB1
SCHEMBL997628 0.80 KIF11 (0.37) KIF11SLC40A1RXFP1TNKSCYP2D6
SCHEMBL998302 0.80 KIF11 (0.37) KIF11CYP1A2CYP2D6CYP2C19RPS6KB1

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 4760/4885SLC40A1 464/4885RXFP1 2018/4885

“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.