SCHEMBL3365641

SCHEMBL3365641

CCOC(=O)Cc1cncc(-c2ccc(C(F)(F)F)cc2CNCCc2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
NAMPT P43490 7/20 0.41
KMT2A Q03164 2/20 0.39
SORT1 Q99523 1/20 0.39
PPID Q08752 1/20 0.38
TSHR P16473 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
POLQ O75417 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3366120 0.92 PTGDR2 (0.46) PTGDR2CYP11B1CYP11B2NAMPTPPID
SCHEMBL16501959 0.89 KMT2A (0.40) KMT2APPIDTSHR
SCHEMBL3367794 0.88 PTGDR2 (0.43) PTGDR2CYP11B1CYP11B2SORT1ALOX5AP
SCHEMBL1922223 0.87 CYP11B1 (0.41) PTGDR2CYP11B1CYP11B2ALOX5APFEN1
SCHEMBL1924048 0.84 ALDH1A1 (0.41) PTGDR2CYP11B1CYP11B2KMT2APOLQ
SCHEMBL3364482 0.83 SORT1 (0.40) PTGDR2CYP11B1CYP11B2SORT1KDM4E
SCHEMBL3367329 0.81 KCNQ3 (0.40) PTGDR2CYP11B1CYP11B2NAMPTTSHR
SCHEMBL3365535 0.81 CYP11B1 (0.39) PTGDR2CYP11B1CYP11B2TSHRALOX5AP
SCHEMBL13428111 0.80 PTGDR2 (0.46) PTGDR2
SCHEMBL16501961 0.80 ALDH1A1 (0.39) CYP11B1CYP11B2NAMPTKMT2APPID

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 4 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
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
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 PTGDR2 2/4885CYP11B1 173/4885CYP11B2 63/4885

“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.