SCHEMBL4377440

SCHEMBL4377440

COc1ccc(CNc2nc(-c3ccco3)c3ccn(Cc4ccccc4F)c3n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.59
ADORA1 P30542 9/20 0.59
ADORA3 P0DMS8 6/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADORA2B P29275 3/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
UBE2I P63279 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL4366004 0.75 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4370979 0.75 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL4369863 0.74 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL13668448 0.74 ADORA2A (0.49) ADORA2AADORA1ADORA3MAPTTSHR
SCHEMBL4713838 0.69 ADORA2A (0.65) ADORA2AADORA1ADORA3MAPTTSHR
SCHEMBL14002324 0.69 ADORA3 (0.47) ADORA2AADORA1ADORA3MAPTTSHR
SCHEMBL29781287 0.65 MAPT (0.68) MAPTLMNAALOX15SMN1; SMN2HSD17B10
SCHEMBL20889707 0.65 TRIM33 (0.68) ADORA2AADORA1ADORA3MAPTTSHR
SCHEMBL4369810 0.63 ADORA2A (0.55) ADORA2AADORA1ADORA3TSHRADORA2B
SCHEMBL5459646 0.63 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2B

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
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
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 11/4885ADORA3 7/4885
US-20040092537-A1 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists CNR1, CNR2, CHRNA6 ADORA2A 7/4885ADORA1 18/4885ADORA3 16/4885

“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.