SCHEMBL998702

SCHEMBL998702

COC(=O)N1C(c2cccc(F)c2)c2[nH]c3cncnc3c2CC12CC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
RPS6KB1 P23443 3/20 0.34
GRIN2B Q13224 1/20 0.33
OPRK1 P41145 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HCRTR2 O43614 4/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL997542 0.90 KIF11 (0.38) KIF11ALDH1A1RPS6KB1GRIN2BNPSR1
SCHEMBL998800 0.88 KIF11 (0.39) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL998302 0.87 KIF11 (0.37) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL999384 0.85 KIF11 (0.37) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL999957 0.85 KIF11 (0.38) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL999387 0.84 KIF11 (0.36) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL998567 0.83 KIF11 (0.40) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1078686 0.82 KIF11 (0.48) KIF11NPSR1LMNATP53
SCHEMBL997273 0.80 ALDH1A1 (0.37) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1000704 0.80 KIF11 (0.36) KIF11ALDH1A1CYP1A2CYP2D6CYP2C19

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 4760/4885ALDH1A1 1422/4885CYP1A2 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.