SCHEMBL3245760

SCHEMBL3245760

NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.45
DCAF15 Q66K64 2/20 0.44
CETP P11597 1/20 0.42
TACR3 P29371 1/20 0.41
JAK2 O60674 1/20 0.41
SYK P43405 1/20 0.41
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1C3 P42330 1/20 0.40
PDE10A Q9Y233 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL3245755 0.90 PDE10A (0.52) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL3243571 0.89 ADORA2B (0.69) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL13548777 0.86 ADORA2B (0.65) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL3241996 0.83 ADORA2B (0.72) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL3254472 0.83 ADORA2B (0.74) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL3542286 0.82 ADORA2B (0.68) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL3256257 0.82 ADORA2B (0.70) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL3248047 0.80 ADORA2B (0.68) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL3250096 0.80 ADORA2B (0.70) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL13357464 0.79 ADORA2B (0.69) ADORA2BADORA3ADORA2AADORA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 EP disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 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 (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-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 ADORA2B 1/4885ADORA3 26/4885ADORA2A 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.