Sugi Predict

Sugi Predict / Compounds / SCHEMBL3847530

SCHEMBL3847530

SCHEMBL3847530

c1ccc(-c2nc(NCCc3cnc[nH]3)c3cc[nH]c3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.61
▸ CYP1A2 P05177 4/20 0.61
▸ CYP2D6 P10635 4/20 0.61
▸ CYP2C19 P33261 4/20 0.61
▸ CLK4 Q9HAZ1 3/20 0.61
▸ CYP2C9 P11712 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ HBB P68871 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ HRH3 Q9Y5N1 1/20 0.53
▸ SOD1 P00441 1/20 0.50
▸ ADORA1 P30542 2/20 0.48
▸ PDE5A O76074 3/20 0.47

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
SCHEMBL8353521 0.87 CYP1A2 (0.48) CYP3A4CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL13779087 0.81 KDM4E (0.62) LMNAADORA1PDE5AADORA3ADORA2A
SCHEMBL13655430 0.81 GBA1 (0.67) CYP3A4CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL8354589 0.78 PDE5A (0.46) CYP3A4CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL8357906 0.78 GBA1 (0.59) CYP1A2HIF1AADORA1PDE5AAURKA
SCHEMBL13779413 0.76 CYP1A2 (0.52) CYP3A4CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL8353233 0.74 ADORA1 (0.44) TSHRALDH1A1TP53ALOX15ADORA1
SCHEMBL8357968 0.73 ADORA1 (0.45) CYP3A4CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL7746302 0.73 ADORA1 (0.62) CYP3A4CYP1A2CYP2D6CYP2C19CLK4
SCHEMBL13873881 0.72 ADORA1 (0.49) TSHRALDH1A1TP53ALOX15RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450811-B1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARM INC (US) 2009-10-21 — — EP disclosed
EP-1450811-B1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARM INC (US) 2009-10-21 — — EP disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 — — US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 — — US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 — — US disclosed
EP-2050751-A1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
EP-2050751-A1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 — — EP disclosed
US-20050090513-A1 Compounds specific to adenosine a1 and a3 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2005-04-28 — — US disclosed
US-6673802-B2 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-01-06 — — US disclosed
WO-2003048120-A2 2-ARYL PYRROLOGPYRIMIDINES FOR A1 AND A3 RECEPTORS OSI PHARMACEUTICALS, INC. (US) 2003-06-12 — — WO disclosed
US-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-04-17 — — US disclosed
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2002-07-18 — — 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 (4 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A CYP3A4 1391/4885CYP1A2 544/4885CYP2D6 676/4885
US-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 CYP3A4 1874/4885CYP1A2 1252/4885CYP2D6 1514/4885
US-20050090513-A1 Compounds specific to adenosine a1 and a3 receptors and uses thereof ADORA3, ADORA2A, ADORA1 CYP3A4 1369/4885CYP1A2 762/4885CYP2D6 1279/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 CYP3A4 1874/4885CYP1A2 1252/4885CYP2D6 1514/4885

“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.