SCHEMBL998098

SCHEMBL998098

Cc1cc(C)cc(NC(=O)N2C(c3cccc(F)c3)c3[nH]c4ncncc4c3CC23CC3)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
CYP2D6 P10635 4/20 0.34
USP2 O75604 2/20 0.34
ALOX15 P16050 1/20 0.34
RPS6KB1 P23443 4/20 0.34
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD4 P21917 1/20 0.33
KMT2A Q03164 1/20 0.33
LHCGR P22888 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
KIT P10721 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL996764 0.89 KIF11 (0.36) KIF11CYP2D6USP2ALOX15MAPK1
SCHEMBL999384 0.88 KIF11 (0.37) KIF11CYP2D6USP2ALOX15RPS6KB1
SCHEMBL997862 0.87 KIF11 (0.41) KIF11CYP2D6USP2ALOX15MAPK1
SCHEMBL999207 0.87 KIF11 (0.38) KIF11CYP2D6RPS6KB1MAPK1ALDH1A1
SCHEMBL998662 0.86 KIF11 (0.39) KIF11CYP2D6USP2ALOX15MAPK1
SCHEMBL998302 0.85 KIF11 (0.37) KIF11CYP2D6RPS6KB1CYP3A4CYP2C19
SCHEMBL998439 0.85 KIF11 (0.37) KIF11CYP2D6USP2ALOX15MAPK1
SCHEMBL998540 0.84 KIF11 (0.51) KIF11KMT2ALHCGRTP53
SCHEMBL996597 0.82 KIF11 (0.39) KIF11CYP2D6USP2ALOX15MAPK1
SCHEMBL998559 0.74 KIF11 (0.48) KIF11KMT2ALHCGRTP53

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 4760/4885CYP2D6 327/4885USP2 4550/4885

“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.