Sugi Predict

Sugi Predict / Compounds / SCHEMBL3242099

SCHEMBL3242099

SCHEMBL3242099

CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COc3ccc(Cl)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.52
▸ ADORA1 P30542 2/20 0.52
▸ CYP1A2 P05177 9/20 0.51
▸ CYP3A4 P08684 8/20 0.51
▸ CYP2D6 P10635 8/20 0.51
▸ CLK4 Q9HAZ1 6/20 0.51
▸ CYP2C19 P33261 4/20 0.51
▸ TSHR P16473 3/20 0.51
▸ ADORA2B P29275 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ USP2 O75604 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HBB P68871 1/20 0.46

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 0.94 CYP1A2 (0.57) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL3251500 0.92 ADORA2A (0.52) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL3246559 0.92 CYP1A2 (0.58) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL3249224 0.91 CYP1A2 (0.54) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL3252071 0.88 ADORA2A (0.52) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL3253006 0.87 CYP1A2 (0.54) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL3249433 0.87 CYP1A2 (0.64) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL3249303 0.86 CYP1A2 (0.58) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL3251155 0.86 CYP1A2 (0.54) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL3252219 0.86 CYP1A2 (0.54) ADORA2AADORA1CYP1A2CYP3A4CYP2D6

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 — — US claimed
EP-2011499-A2 Pyrrolo[2,3d]Pyrimidine compositions and their use OSI Pharmaceuticals, Inc. (US) 2009-01-07 — — EP claimed
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2005-02-24 — — US claimed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 — — US claimed
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2002-03-07 — — US claimed
CN-1311680-A Pyrrolo [2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS CORP (US) 2001-09-05 — — CN claimed
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-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 — — US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 — — US disclosed
EP-2011499-A2 Pyrrolo[2,3d]Pyrimidine compositions and their use OSI Pharmaceuticals, Inc. (US) 2009-01-07 — — EP disclosed
US-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-04-17 — — US disclosed
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2003-03-06 — — US disclosed
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-02-20 — — US disclosed
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2002-07-18 — — US disclosed
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2002-05-16 — — US disclosed
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2002-03-07 — — US disclosed
CN-1311680-A Pyrrolo [2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS CORP (US) 2001-09-05 — — CN 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 (9 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 ADORA2A 16/4885ADORA1 11/4885CYP1A2 498/4885
US-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885CYP1A2 1252/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 1/4885CYP1A2 1037/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 1/4885CYP1A2 1037/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885CYP1A2 1276/4885
US-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA2A 7/4885ADORA1 38/4885CYP1A2 2383/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA2A 7/4885ADORA1 38/4885CYP1A2 2383/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA1 4/4885CYP1A2 675/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885CYP1A2 1252/4885

“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.