SCHEMBL3364708

SCHEMBL3364708

COC(=O)c1cc(-n2cccn2)ccc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
RXFP1 Q9HBX9 1/20 0.44
KAT6A Q92794 2/20 0.43
LMNA P02545 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL6774142 0.87 MAPT (0.51) MAPTRXFP1KAT6ALMNAPIK3CD
SCHEMBL23292639 0.84 MAPT (0.48) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL18094315 0.84 MAPT (0.48) MAPTRXFP1KAT6ALMNAPIK3CD
SCHEMBL3369502 0.84 MAPT (0.48) MAPTRXFP1KAT6ALMNAPIK3CD
SCHEMBL20556372 0.82 MAPT (0.52) MAPTRXFP1KAT6ALMNAPIK3CD
SCHEMBL12018299 0.81 MAPT (0.48) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL17201019 0.81 KAT6A (0.48) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL3366196 0.80 SIRT6 (0.57) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL10088436 0.78 NOTUM (0.46) MAPTRXFP1KAT6ALMNAKDM4E
SCHEMBL17915048 0.77 MAPT (0.45) MAPTRXFP1KAT6ALMNAPIK3CD

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 5 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
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 MAPT 4858/4885RXFP1 572/4885KAT6A 2996/4885

“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.