SCHEMBL12430387

SCHEMBL12430387

CC(C)(C)c1cnc2nc(N)nc(N)c2n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
PIK3CG P48736 3/20 0.46
NOS1 P29475 1/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL24506814 0.86 ADORA2A (0.48) ADORA2APIK3CG
SCHEMBL12775538 0.84 ADORA1 (0.36) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL30965441 0.76 ADORA2A (0.53) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL63822 0.76 ADORA2A (0.53) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL3692533 0.75 ADORA2A (0.57) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL16980950 0.75 NOS1 (0.53) NOS1
Bromide SCHEMBL11633687 0.74 ADORA2A (0.52) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL3537607 0.73 ADORA2A (0.55) ADORA2APIK3CGNOS1PIK3CAPIK3CB
SCHEMBL25449339 0.73 ALDH1A1 (0.35)
SCHEMBL3660280 0.72 ADORA2A (0.53) ADORA2APIK3CGNOS1PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117552-B1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES STOICESCU DAN (CH) 2011-08-03 EP disclosed
US-7875716-B2 Such as n-[4-[[2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]pseudoglutamic ester; synthesis; efficacy; reduced renal toxicity and other adverse side effects; cancer STOICESCU DAN 2011-01-25 US disclosed
US-7718660-B2 Inhibitors of folic acid-dependent enzymes STOICESCU DAN 2010-05-18 US disclosed
US-20080214550-A1 Novel inhibitors of folic acid-dependent enzymes STOICESCU DAN 2008-09-04 US disclosed
WO-2008098957-A1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES STOICESCU DAN (CH) 2008-08-21 WO disclosed
EP-1958632-A1 Use of condensed pyrimidine derivatives for the treatment of autoimmune and inflammatory diseases Stoicescu, Dan (CY) 2008-08-20 EP disclosed
EP-1809292-B1 CONDENSED PYRIMIDINE DERIVATIVES AS INHIBITORS OF FOIC ACID-DEPENDENT ENZYMES STOICESCU DAN (CH) 2008-05-21 EP disclosed
US-20070265444-A1 Novel Inhibitors of Folic Acid-Dependent Enzymes STOICESCU DAN 2007-11-15 US disclosed
WO-2007020277-A2 CONDENSED PYRIMIDINE DERIVATIVES AS INHIBITORS OF FOIC ACID-DEPENDENT ENZYMES STOICESCU DAN (CY) 2007-02-22 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 (2 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-20070265444-A1 Novel Inhibitors of Folic Acid-Dependent Enzymes FOLR2, FOLR1, DHFR ADORA2A 844/4885PIK3CG 4242/4885NOS1 1678/4885
US-20080214550-A1 Novel inhibitors of folic acid-dependent enzymes FOLR2, FOLR1, DHFR ADORA2A 850/4885PIK3CG 4317/4885NOS1 1459/4885

“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.