SCHEMBL8357906

SCHEMBL8357906

c1ccc(-c2nc(NCCc3ccccn3)c3cc[nH]c3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.59
HIF1A Q16665 2/20 0.54
PDE5A O76074 6/20 0.53
TLR9 Q9NR96 1/20 0.48
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
AURKA O14965 1/20 0.43
METAP1 P53582 2/20 0.43
JAK2 O60674 1/20 0.43
PPP1CA P62136 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13779086 0.88 GBA1 (0.50) GBA1HIF1APDE5ATLR9ADORA1
SCHEMBL1064493 0.83 GBA1 (0.82) GBA1HIF1APDE5ATLR9MAPK1
SCHEMBL13779087 0.82 KDM4E (0.62) GBA1PDE5ATLR9ADORA1ADORA3
SCHEMBL8357968 0.81 ADORA1 (0.45) GBA1HIF1APDE5ATLR9ADORA1
SCHEMBL13655430 0.79 GBA1 (0.67) GBA1PDE5ACYP1A2MAPK1KDM4E
SCHEMBL3847530 0.78 CYP3A4 (0.61) GBA1HIF1APDE5AADORA1ADORA3
SCHEMBL8353233 0.77 ADORA1 (0.44) GBA1PDE5AADORA1ADORA3ADORA2A
SCHEMBL22201478 0.77 GBA1 (0.77) GBA1PDE5AMAPK1KDM4EMETAP1
SCHEMBL4237965 0.77 GBA1 (0.62) GBA1HIF1APDE5ATLR9MAPK1
SCHEMBL8357293 0.76 HTT (0.48) GBA1PDE5AADORA1HTTPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450811-B1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARM INC (US) 2009-10-21 EP disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
EP-2050751-A1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
WO-2003048120-A2 2-ARYL PYRROLOGPYRIMIDINES FOR A1 AND A3 RECEPTORS OSI PHARMACEUTICALS, INC. (US) 2003-06-12 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A GBA1 373/4885HIF1A 843/4885PDE5A 877/4885

“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.