SCHEMBL3012124

SCHEMBL3012124

CC1(C)Oc2cc(N)ccc2C(c2ccc(F)cc2)=C1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.40
CDK8 P49336 4/20 0.40
HASPIN Q8TF76 4/20 0.40
IKBKB O14920 5/20 0.34
CHUK O15111 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM2 Q14416 4/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
PTGS1 P23219 1/20 0.33
CDK19 Q9BWU1 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL3016984 0.90 CCNC (0.36) CCNCCDK8HASPINNR3C1PGR
SCHEMBL14822886 0.82 CCNC (0.37) CCNCCDK8HASPINIKBKBGRM2
SCHEMBL14666692 0.82 CCNC (0.37) CCNCCDK8HASPINIKBKBGRM2
SCHEMBL3027732 0.82 DGAT1 (0.34) CCNCCDK8HASPINNR3C1PGR
SCHEMBL12081739 0.81 NR3C2 (0.49) CCNCCDK8HASPINIKBKBCHUK
SCHEMBL3030374 0.81 PGR (0.33) CCNCCDK8HASPINNR3C1PGR
SCHEMBL3025613 0.79 MAPT (0.38) CCNCCDK8HASPINNR3C1PGR
SCHEMBL14666727 0.78 NR3C1 (0.32) CCNCCDK8HASPINNR3C1PGR
SCHEMBL3028048 0.77 NR3C1 (0.31) CCNCCDK8HASPINNR3C1PGR
SCHEMBL3030501 0.76 FABP4 (0.36) CCNCCDK8HASPINNR3C1PGR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 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 (2 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R CCNC 536/4885CDK8 1504/4885HASPIN 3463/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R CCNC 655/4885CDK8 2050/4885HASPIN 2912/4885

“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.