SCHEMBL3369502

SCHEMBL3369502

COC(=O)c1cc(-n2cccn2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CFTR P13569 1/20 0.46
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
KAT6A Q92794 1/20 0.43
LRRK2 Q5S007 1/20 0.42
GLA P06280 1/20 0.42
TBK1 Q9UHD2 2/20 0.42
HDAC4 P56524 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
NLRP3 Q96P20 2/20 0.41
ESRRA P11474 1/20 0.41

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) MAPTALDH1A1KDM4EALOX15TSHR
SCHEMBL7419149 0.86 JAK2 (0.53) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL18094315 0.84 MAPT (0.48) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3364708 0.84 MAPT (0.48) MAPTALDH1A1KDM4EALOX15TSHR
SCHEMBL23292639 0.84 MAPT (0.48) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL8296716 0.83 IP6K1 (0.51) MAPTALDH1A1KDM4ELMNARXFP1
SCHEMBL8425453 0.83 CAPN1 (0.47) MAPTALDH1A1KDM4ELMNAKAT6A
SCHEMBL20556372 0.82 MAPT (0.52) MAPTALDH1A1KDM4EALOX15TSHR
SCHEMBL17201019 0.81 KAT6A (0.48) MAPTKDM4ELMNARXFP1KAT6A
SCHEMBL12018299 0.81 MAPT (0.48) MAPTKDM4ELMNARXFP1KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765760-B2 [1,2,4] triazol [1,5-a] pyrazines useful as inhibitors of phosphodiesterases SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-01 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
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 4858/4885ALDH1A1 2005/4885KDM4E 4767/4885

“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.