SCHEMBL108698

SCHEMBL108698

c1ccc(-c2cn3c(n2)CNCC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.69
CD274 Q9NZQ7 2/20 0.69
WDR5 P61964 7/20 0.59
ALDH1A1 P00352 5/20 0.59
LMNA P02545 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
P2RX7 Q99572 2/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL18329398 0.91 WDR5 (0.65) PDCD1CD274WDR5ALDH1A1LMNA
SCHEMBL10747985 0.86 PDCD1 (0.53) PDCD1CD274WDR5ALDH1A1LMNA
SCHEMBL15933687 0.86 PDCD1 (0.53) PDCD1CD274WDR5ALDH1A1LMNA
SCHEMBL12781800 0.84 PDCD1 (0.52) PDCD1CD274WDR5ALDH1A1LMNA
SCHEMBL10750012 0.84 PDCD1 (0.52) PDCD1CD274WDR5ALDH1A1LMNA
SCHEMBL15933525 0.84 PDCD1 (0.52) PDCD1CD274WDR5ALDH1A1LMNA
SCHEMBL15933686 0.84 NPC1 (0.61) PDCD1CD274WDR5ALDH1A1LMNA
SCHEMBL15933440 0.84 PDCD1 (0.59) PDCD1CD274WDR5ALDH1A1LMNA
SCHEMBL10747141 0.84 PDCD1 (0.52) PDCD1CD274WDR5ALDH1A1LMNA
SCHEMBL15933676 0.84 PDCD1 (0.55) PDCD1CD274WDR5ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2014117318-A1 NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF 中国科学院上海药物研究所 (CN) 2014-08-07 WO disclosed
EP-2424867-B1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
EP-2424867-B1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
US-8513248-B2 5,6,7,8-tetrahydroimidazo[1,2-A]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-20 US disclosed
US-8513248-B2 5,6,7,8-tetrahydroimidazo[1,2-A]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-20 US disclosed
US-8513248-B2 5,6,7,8-tetrahydroimidazo[1,2-A]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-20 US disclosed
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
EP-2424867-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125101-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125101-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
US-4670445-A VASODILATORS ELI LILLY AND COMPANY (US) 1987-06-02 US disclosed
US-4578387-A VASODILATION; DERIVATIVES OF 2-PHENYL-5,6,7,8-TETRAHYDROIMADAZO/1,2-A/PYRAZINE ELI LILLY AND COMPANY (US) 1986-03-25 US disclosed
EP-0154494-A2 Phenylimidazole inotropic agents ELI LILLY AND COMPANY (US) 1985-09-11 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 (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-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 PDCD1 4494/4885CD274 3515/4885WDR5 999/4885

“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.