SCHEMBL8353233

SCHEMBL8353233

c1ccc(-c2nc(NCCCc3c[nH]cn3)c3cc[nH]c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ACP1 P24666 2/20 0.43
PDE5A O76074 4/20 0.41
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GBA1 P04062 5/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL8357343 0.81 CYP1A2 (0.51) MAPK1ALDH1A1TP53ALOX15TSHR
SCHEMBL8357906 0.77 GBA1 (0.59) ADORA1ADORA3ADORA2AADORA2BPDE5A
SCHEMBL8357968 0.75 ADORA1 (0.45) ADORA1ADORA3ADORA2AADORA2BACP1
SCHEMBL3847530 0.74 CYP3A4 (0.61) ADORA1ADORA3ADORA2AADORA2BPDE5A
SCHEMBL13779087 0.74 KDM4E (0.62) ADORA1ADORA3ADORA2AADORA2BPDE5A
SCHEMBL8355325 0.73 GSK3A (0.73) ACP1MAPK1ALDH1A1GSK3AGSK3B
SCHEMBL23748372 0.72 PDE5A (0.53) ACP1PDE5AMAPK1ALDH1A1GBA1
SCHEMBL8354309 0.72 BTK (0.49) ADORA1ADORA3ADORA2AADORA2BACP1
SCHEMBL13655430 0.71 GBA1 (0.67) PDE5AMAPK1ALDH1A1GBA1TP53
SCHEMBL8354589 0.71 PDE5A (0.46) ADORA1ADORA3ADORA2AADORA2BACP1

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 ADORA1 2/4885ADORA3 1/4885ADORA2A 3/4885

“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.