SCHEMBL8355465

SCHEMBL8355465

NC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccccc2)nc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
TSHR P16473 3/20 0.42
GAA P10253 2/20 0.42
PIK3CA P42336 3/20 0.39
MTOR P42345 3/20 0.39
KIT P10721 1/20 0.37
JAK3 P52333 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRKCI P41743 1/20 0.35
ELANE P08246 2/20 0.34
SYK P43405 2/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL5189246 1.00 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL4077312 1.00 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL2825572 1.00 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL4170101 0.95 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL3924518 0.95 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL7752203 0.90 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL8355484 0.86 ADORA1 (0.40) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL3924523 0.85 ADORA1 (0.40) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL4170092 0.85 ADORA1 (0.40) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL13873935 0.83 ADORA1 (0.49) ADORA1ADORA3ADORA2AADORA2BTSHR

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.