SCHEMBL999680

SCHEMBL999680

Cc1cc(C)cc(NC(=O)N2CC3(CC3)c3c([nH]c4nccnc34)C2c2cccc(F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 1/20 0.38
KIF11 P52732 1/20 0.37
PAX8 Q06710 2/20 0.36
CYP2D6 P10635 4/20 0.36
USP2 O75604 2/20 0.36
ALOX15 P16050 1/20 0.36
CYP3A4 P08684 6/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP2C19 P33261 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
DRD4 P21917 1/20 0.35
TP53 P04637 2/20 0.34
CYP2C9 P11712 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 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
SCHEMBL1000672 0.90 KIF11 (0.40) LHCGRKIF11PAX8CYP2D6USP2
SCHEMBL999669 0.89 PAX8 (0.39) LHCGRKIF11PAX8CYP2D6USP2
SCHEMBL996806 0.84 KIF11 (0.41) LHCGRKIF11PAX8CYP2D6USP2
SCHEMBL997400 0.84 PAX8 (0.42) LHCGRKIF11PAX8CYP2D6USP2
SCHEMBL999494 0.84 ALDH1A1 (0.37) KIF11CYP2D6CYP3A4ALDH1A1CYP2C19
SCHEMBL997469 0.84 KIF11 (0.49) LHCGRKIF11TP53
SCHEMBL1000909 0.83 PAX8 (0.45) LHCGRKIF11PAX8CYP2D6USP2
SCHEMBL2033427 0.82 KIF11 (0.44) LHCGRKIF11PAX8SMN1; SMN2TP53
SCHEMBL998439 0.81 KIF11 (0.37) LHCGRKIF11CYP2D6USP2ALOX15
SCHEMBL2034601 0.80 PAX8 (0.51) LHCGRKIF11PAX8USP2CYP3A4

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 LHCGR 1338/4885KIF11 4760/4885PAX8 4531/4885

“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.