SCHEMBL998662

SCHEMBL998662

Cc1cc(C)cc(NC(=O)N2C(c3cccc(F)c3)c3[nH]c4cnccc4c3CC23CC3)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 7/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
TP53 P04637 4/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD4 P21917 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
SCHEMBL997862 0.94 KIF11 (0.41) KIF11CYP3A4CYP2C19CYP2D6SMN1; SMN2
SCHEMBL996764 0.87 KIF11 (0.36) KIF11CYP3A4CYP2C19CYP2D6MAPK1
SCHEMBL999384 0.87 KIF11 (0.37) KIF11CYP3A4CYP2C19CYP2D6SMN1; SMN2
SCHEMBL998098 0.86 KIF11 (0.37) KIF11CYP3A4CYP2C19CYP2D6SMN1; SMN2
SCHEMBL999957 0.85 KIF11 (0.38) KIF11ROCK2CYP2C19CYP2D6SMN1; SMN2
SCHEMBL996597 0.85 KIF11 (0.39) KIF11CYP3A4CYP2C19CYP2D6MAPK1
SCHEMBL6007489 0.85 KIF11 (0.39) KIF11ROCK2CYP2C19CYP2D6TP53
SCHEMBL998439 0.85 KIF11 (0.37) KIF11CYP3A4CYP2C19CYP2D6SMN1; SMN2
SCHEMBL998071 0.84 KIF11 (0.53) KIF11TP53MAPTPOLB
SCHEMBL997400 0.82 PAX8 (0.42) KIF11ROCK2CYP3A4CYP2C19CYP2D6

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 4760/4885ROCK2 4107/4885CYP3A4 709/4885

“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.