SCHEMBL998439

SCHEMBL998439

Cc1cc(C)cc(NC(=O)N2C(c3cccc(F)c3)c3[nH]c4nccnc4c3CC23CC3)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
DRD4 P21917 1/20 0.34
CYP2D6 P10635 5/20 0.34
ALDH1A1 P00352 3/20 0.34
USP2 O75604 2/20 0.34
TP53 P04637 2/20 0.34
ALOX15 P16050 1/20 0.34
CYP3A4 P08684 5/20 0.34
CYP2C19 P33261 4/20 0.34
LHCGR P22888 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.32
SLC40A1 Q9NP59 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
SCHEMBL996597 0.90 KIF11 (0.39) KIF11DRD4CYP2D6ALDH1A1USP2
SCHEMBL996764 0.89 KIF11 (0.36) KIF11DRD4CYP2D6ALDH1A1USP2
SCHEMBL997628 0.86 KIF11 (0.37) KIF11CYP2D6ALDH1A1TP53SLC40A1
SCHEMBL999384 0.85 KIF11 (0.37) KIF11DRD4CYP2D6ALDH1A1USP2
SCHEMBL998662 0.85 KIF11 (0.39) KIF11DRD4CYP2D6ALDH1A1USP2
SCHEMBL997862 0.85 KIF11 (0.41) KIF11DRD4CYP2D6ALDH1A1USP2
SCHEMBL998098 0.85 KIF11 (0.37) KIF11DRD4CYP2D6ALDH1A1USP2
SCHEMBL999387 0.84 KIF11 (0.36) KIF11CYP2D6ALDH1A1CYP3A4CYP2C19
SCHEMBL997469 0.83 KIF11 (0.49) KIF11TP53LHCGR
SCHEMBL999680 0.81 LHCGR (0.38) KIF11DRD4CYP2D6ALDH1A1USP2

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 4760/4885DRD4 3297/4885CYP2D6 327/4885

“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.