SCHEMBL996806

SCHEMBL996806

Cc1cc(C)cc(NC(=O)N2CC3(CC3)c3c([nH]c4ccncc34)C2c2cccc(F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
PAX8 Q06710 2/20 0.41
CYP3A4 P08684 6/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 3/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
LHCGR P22888 1/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL997400 0.94 PAX8 (0.42) KIF11PAX8CYP3A4CYP2C19CYP2D6
SCHEMBL1000909 0.89 PAX8 (0.45) KIF11PAX8CYP2D6TP53USP2
SCHEMBL2033427 0.87 KIF11 (0.44) KIF11PAX8SMN1; SMN2TP53LHCGR
SCHEMBL999669 0.87 PAX8 (0.39) KIF11PAX8CYP3A4CYP2C19CYP2D6
SCHEMBL997552 0.86 PAX8 (0.44) KIF11PAX8CYP2D6TP53USP2
SCHEMBL998373 0.86 PAX8 (0.44) KIF11PAX8CYP2D6TP53USP2
SCHEMBL998327 0.85 KIF11 (0.42) KIF11PAX8CYP3A4CYP2C19CYP2D6
SCHEMBL998769 0.85 KIF11 (0.41) KIF11PAX8CYP3A4CYP2C19CYP2D6
SCHEMBL2034601 0.85 PAX8 (0.51) KIF11PAX8CYP3A4CYP2C19SMN1; SMN2
SCHEMBL998307 0.85 KIF11 (0.55) KIF11TP53LHCGRPOLBMAPT

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 4760/4885PAX8 4531/4885CYP3A4 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.