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Sugi Predict / Compounds / SCHEMBL3243120

SCHEMBL3243120

SCHEMBL3243120

CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COc3cccc(NC(C)=O)c3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.53
▸ CYP3A4 P08684 6/20 0.53
▸ CYP2D6 P10635 6/20 0.53
▸ CLK4 Q9HAZ1 5/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ ADORA2A P29274 2/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ USP2 O75604 2/20 0.49
▸ ADORA2B P29275 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL3243537 0.91 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL3253006 0.90 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL3249433 0.90 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL3252219 0.89 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL3251155 0.89 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL3249224 0.89 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL3250506 0.88 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL3251500 0.88 ADORA2A (0.52) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL3246559 0.86 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL3249303 0.85 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CLK4CYP2C19

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 8 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-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 — — US 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 (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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B CYP1A2 673/4885CYP3A4 1115/4885CYP2D6 368/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 CYP1A2 498/4885CYP3A4 1075/4885CYP2D6 462/4885

“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.