SCHEMBL4368372

SCHEMBL4368372

CN(C)c1nc(-c2ccco2)c2ccn(COCC[Si](C)(C)C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.46
ADORA1 P30542 10/20 0.46
PDE10A Q9Y233 2/20 0.38
ADORA3 P0DMS8 4/20 0.34
ADORA2B P29275 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
PTPN7 P35236 1/20 0.32
BRCA1 P38398 1/20 0.32

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
SCHEMBL4369513 0.86 ADORA2A (0.43) ADORA2AADORA1PDE10AKDM4EMEN1
SCHEMBL3274086 0.82 ADORA2A (0.52) ADORA2AADORA1
SCHEMBL4365730 0.78 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL4369863 0.75 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL3268689 0.69 ADORA2A (0.49) ADORA2AADORA1
SCHEMBL17467249 0.69 KDM4E (0.39) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL4367268 0.68 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL1291499 0.67 HDAC1 (0.38) MAPT
SCHEMBL3273028 0.67 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL29528142 0.66 DGAT1 (0.35) ADORA2AADORA1

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 5 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
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 11/4885PDE10A 560/4885
US-20040092537-A1 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists CNR1, CNR2, CHRNA6 ADORA2A 7/4885ADORA1 18/4885PDE10A 770/4885

“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.