SCHEMBL3370013

SCHEMBL3370013

N#CCc1ccnc(-c2ccc(C(F)(F)F)cc2CCC(N)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.38
CTSK P43235 5/20 0.35
KCNH2 Q12809 2/20 0.35
TRPV3 Q8NET8 4/20 0.34
NR3C2 P08235 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
JAK2 O60674 1/20 0.33
SCN9A Q15858 1/20 0.33
CTSS P25774 2/20 0.32
CYP1A2 P05177 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
KLF5 Q13887 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3366238 0.86 AURKA (0.39) AURKACTSKKCNH2TRPV3NR3C2
SCHEMBL3370011 0.81 ALDH1A1 (0.40) CTSKTRPV3GPBAR1CYP1A2CYP3A4
SCHEMBL3370016 0.77 TRPV3 (0.40) CTSKTRPV3CTSS
SCHEMBL13428124 0.76 PTGDR2 (0.53) PTGDR2
SCHEMBL3404059 0.71 PTGDR2 (0.49) CYP3A4CYP2C9PTGDR2
SCHEMBL5208242 0.67 IDO1 (0.51) AURKAKMT2A
SCHEMBL3366235 0.67 TRPV3 (0.42) TRPV3CYP1A2CYP3A4
SCHEMBL3147881 0.66 TAS2R14 (0.39) AURKAPTGDR2
SCHEMBL6052863 0.65 NOS3 (0.47) CTSKKCNH2CTSSCYP3A4KMT2A
SCHEMBL13428272 0.65 PTGDR2 (0.53) CYP3A4CYP2C9PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 AURKA 4680/4885CTSK 2676/4885KCNH2 3073/4885

“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.