SCHEMBL4406463

SCHEMBL4406463

Cc1[nH]c2nc(-c3ccccc3F)[nH]c(=O)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
SLC9A1 P19634 2/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP1 P09874 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PDE7A Q13946 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.38
TYMS P04818 1/20 0.38

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
SCHEMBL3900420 0.80 POLB (0.58) GAAALDH1A1L3MBTL1PARP1MEN1
SCHEMBL4403537 0.77 TNKS (0.50) MGAMGAASIMGAM2PARP1
SCHEMBL4406834 0.76 MGAM (0.48) MGAMGAASIMGAM2SLC9A1
SCHEMBL4254483 0.72 DHPS (0.41) MGAMGAASIMGAM2NPC1
SCHEMBL2199779 0.72 PDE5A (0.66)
SCHEMBL4406790 0.69 WNT3A (0.44) ALDH1A1RAB9AADORA1HPGDKMT2A
SCHEMBL4409806 0.69 TMIGD3 (0.61) ALDH1A1ADORA1HPGDSMN1; SMN2TYMS
SCHEMBL4712040 0.69 GUSB (0.68) GAANPC1ALDH1A1PKMRAB9A
SCHEMBL17889921 0.67 BRD4 (0.53) PARP1PDE7A
SCHEMBL1036814 0.67 ALDH1A1 (0.58) MGAMGAASIMGAM2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-6878716-B1 Compounds specific to adenosine A1 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2005-04-12 US disclosed
US-6800633-B2 CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-20040082598-A1 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082599-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6680322-B2 FOR THERAPY OF ASTHMA, ALLERGIC RHINITIS, RESPIRATORY SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
US-6673802-B2 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-01-06 US disclosed
US-6664252-B2 (6-aryl-pyrrolo(2,3-d)pyrimidin-4-yl)amine derivatives; treating Parkinson's disease and diseases associated with locomotor activity, vasodilation, platelet inhibition, neutrophil superoxide generation, cognitive disorders, etc. OSI PHARMACEUTICALS, INC. 2003-12-16 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 MGAM 4221/4885GAA 356/4885SI 3438/4885
US-20040082598-A1 Compounds specific to adenosine A, receptors and uses thereof ADORA2A, ADORA1, ADORA3 MGAM 3613/4885GAA 436/4885SI 3541/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MGAM 4082/4885GAA 519/4885SI 3628/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MGAM 4082/4885GAA 519/4885SI 3628/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 MGAM 4727/4885GAA 2652/4885SI 4339/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MGAM 4023/4885GAA 346/4885SI 3628/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 MGAM 4686/4885GAA 2999/4885SI 3474/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 MGAM 4221/4885GAA 630/4885SI 4031/4885
US-20040082599-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MGAM 4082/4885GAA 519/4885SI 3628/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 MGAM 4221/4885GAA 356/4885SI 3438/4885

“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.