SCHEMBL1000672

SCHEMBL1000672

Cc1cc(C)cc(NC(=O)N2CC3(CC3)c3c([nH]c4cccnc34)C2c2cccc(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
PAX8 Q06710 2/20 0.38
LHCGR P22888 1/20 0.37
HCRTR1 O43613 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 3/20 0.35
CYP2D6 P10635 3/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
MAPK1 P28482 1/20 0.34
CCR2 P41597 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD4 P21917 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
TNKS O95271 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
SCHEMBL999680 0.90 LHCGR (0.38) KIF11PAX8LHCGRTP53CYP2D6
SCHEMBL999669 0.88 PAX8 (0.39) KIF11PAX8LHCGRTP53CYP2D6
SCHEMBL1000909 0.86 PAX8 (0.45) KIF11PAX8LHCGRLMNATP53
SCHEMBL1000821 0.85 KIF11 (0.41) KIF11LMNATP53CYP2D6SLC40A1
SCHEMBL999724 0.85 KIF11 (0.39) KIF11LMNATP53CYP2D6SLC40A1
SCHEMBL996806 0.85 KIF11 (0.41) KIF11PAX8LHCGRTP53CYP2D6
SCHEMBL997400 0.85 PAX8 (0.42) KIF11PAX8LHCGRTP53CYP2D6
SCHEMBL2033427 0.84 KIF11 (0.44) KIF11PAX8LHCGRLMNATP53
SCHEMBL1047389 0.84 KIF11 (0.51) KIF11LHCGRKMT2ALMNATP53
SCHEMBL997552 0.83 PAX8 (0.44) KIF11PAX8LHCGRLMNATP53

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 4531/4885LHCGR 1338/4885

“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.