SCHEMBL998430

SCHEMBL998430

COC(=O)N1CC2(CC2)c2c([nH]c3cnccc23)C1c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
CHUK O15111 2/20 0.38
PAX8 Q06710 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ROCK2 O75116 1/20 0.37
HCRTR2 O43614 1/20 0.36
OPRK1 P41145 1/20 0.36
TP53 P04637 2/20 0.35
ICOSLG O75144 2/20 0.35
ICOS Q9Y6W8 2/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 2/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 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
SCHEMBL998769 0.93 KIF11 (0.41) KIF11PAX8ALDH1A1HCRTR2OPRK1
SCHEMBL999201 0.90 KIF11 (0.40) KIF11CHUKPAX8ROCK2HCRTR2
SCHEMBL999146 0.88 KIF11 (0.43) KIF11PAX8TP53
SCHEMBL1000865 0.85 ALDH1A1 (0.37) KIF11PAX8ALDH1A1OPRK1TP53
SCHEMBL997273 0.85 ALDH1A1 (0.37) KIF11PAX8ALDH1A1HCRTR2OPRK1
SCHEMBL997400 0.85 PAX8 (0.42) KIF11PAX8ALDH1A1ROCK2TP53
SCHEMBL998170 0.84 ALDH1A1 (0.38) KIF11PAX8ALDH1A1HCRTR2OPRK1
SCHEMBL999724 0.83 KIF11 (0.39) KIF11ALDH1A1HCRTR2OPRK1TP53
SCHEMBL1000700 0.83 KIF11 (0.53) KIF11TP53MAPT
SCHEMBL998327 0.83 KIF11 (0.42) KIF11PAX8ALDH1A1TP53MAPT

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 4760/4885CHUK 34/4885PAX8 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.