SCHEMBL3869014

SCHEMBL3869014

N#Cc1ccn(NC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
GPR35 Q9HC97 1/20 0.33
STING1 Q86WV6 1/20 0.33
F11 P03951 1/20 0.33
EEF2K O00418 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC2 Q92769 1/20 0.33
MMP2 P08253 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL28813643 0.84 KDM1A (0.38) CA1CA2MAPTKDM4EL3MBTL1
SCHEMBL1857409 0.71 CA2 (0.36) NOTUMCA1CA2F11MAPT
SCHEMBL28202180 0.67 TSHR (0.40) MAPTKDM4ETSHRALDH1A1MAOA
SCHEMBL24621213 0.67 AKR1B1 (0.50) MAPTKDM4EGAAL3MBTL1MMP2
SCHEMBL28582333 0.65 PARP15 (0.37) NOTUMCA1CA2CA12CA9
SCHEMBL9651804 0.65 NOTUM (0.36) NOTUMCA1CA2MAPTTSHR
SCHEMBL7041642 0.65
SCHEMBL5959219 0.64 NPSR1 (0.43) NOTUMMAPTKDM4EGAAL3MBTL1
SCHEMBL27367482 0.64 TSHR (0.39) CA2KDM4ETSHRALDH1A1CA12
SCHEMBL1907012 0.63 DDAH1 (0.47)

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 39 patents — showing the first 20. 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
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 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
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 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
EP-2011499-A2 Pyrrolo[2,3d]Pyrimidine compositions and their use OSI Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 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
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP disclosed
WO-2002057267-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2002-07-25 WO 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
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
EP-1082120-A1 PYRROLO[2,3d]PYRIMIDINE COMPOSITIONS AND THEIR USE OSI Pharmaceuticals, Inc. (US) 2001-03-14 EP disclosed
WO-1999062518-A1 PYRROLO[2,3d]PYRIMIDINE COMPOSITIONS AND THEIR USE OSI PHARMACEUTICALS, INC. (US) 1999-12-09 WO 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 (8 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 NOTUM 4828/4885CA1 4521/4885CA2 3843/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 NOTUM 4401/4885CA1 3157/4885CA2 2481/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 NOTUM 4401/4885CA1 3157/4885CA2 2481/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 NOTUM 4531/4885CA1 4534/4885CA2 3494/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 NOTUM 4312/4885CA1 2950/4885CA2 2551/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 NOTUM 4790/4885CA1 4749/4885CA2 4520/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 NOTUM 4611/4885CA1 3189/4885CA2 1949/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 NOTUM 4475/4885CA1 3775/4885CA2 2880/4885

“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.