SCHEMBL4367268

SCHEMBL4367268

CN(C)c1nc(-c2ccco2)c2ccn(C(=O)c3ccccc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.52
ADORA1 P30542 8/20 0.52
KMT2A Q03164 3/20 0.42
F2 P00734 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.41
ADORA3 P0DMS8 4/20 0.41
MCL1 Q07820 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2B P29275 1/20 0.38
ELANE P08246 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
SCHEMBL4365730 0.76 ADORA2A (0.60) ADORA2AADORA1HPGDLMNAMAPT
SCHEMBL4369863 0.70 ADORA2A (0.72) ADORA2AADORA1LMNAADORA3ADORA2B
SCHEMBL3268544 0.69 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4368372 0.68 ADORA2A (0.46) ADORA2AADORA1KMT2AHPGDLMNA
SCHEMBL4451907 0.67 ADORA2A (1.00) ADORA2AADORA1HPGDMAPTADORA3
SCHEMBL3274742 0.66 ADORA2A (0.51) ADORA2AADORA1ADORA3L3MBTL1ADORA2B
SCHEMBL3273220 0.66 ADORA2A (0.51) ADORA2AADORA1ADORA3ALDH1A1L3MBTL1
SCHEMBL3682801 0.65 KMT2A (0.50) ADORA2AADORA1KMT2AHPGDMAPT
SCHEMBL13668445 0.64 ADORA2A (0.64) ADORA2AADORA1KMT2AHPGDLMNA
SCHEMBL8245876 0.63 ADORA2A (1.00) ADORA2AADORA1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598256-B2 Parkinson's disease; antidepressants; cognition activators; attention deficit disorders; narcolepsy; N,N-dimethyl-4-(2-furyl)-1H-pyrrolo[2,3- d]pyrimidine-2-amine VERNALIS RESEARCH LIMITED (GB) 2009-10-06 US disclosed
US-7598256-B2 Parkinson's disease; antidepressants; cognition activators; attention deficit disorders; narcolepsy; N,N-dimethyl-4-(2-furyl)-1H-pyrrolo[2,3- d]pyrimidine-2-amine VERNALIS RESEARCH LIMITED (GB) 2009-10-06 US disclosed
EP-1363639-B1 PYRROLO 2,3-d PYRIMIDINE AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-08-20 EP disclosed
US-7098333-B2 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2006-08-29 US disclosed
US-20060128731-A1 Pyrrolo [2,3-d] pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-06-15 US disclosed
US-20040092537-A1 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-13 US 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-20060128731-A1 Pyrrolo [2,3-d] pyrimidine and their use as purinergic receptor antagonists CHRNA6, CNR1, ADORA2A ADORA2A 3/4885ADORA1 11/4885KMT2A 3196/4885
US-20040092537-A1 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists CNR1, CNR2, CHRNA6 ADORA2A 7/4885ADORA1 18/4885KMT2A 2979/4885

“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.