SCHEMBL3869722

SCHEMBL3869722

Cc1c(C#N)c(N)n(C(C)c2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4083373 0.74 ADORA2A (0.46) LMNAKDM4EMEN1CASP1KMT2A
SCHEMBL4765604 0.73 KDM4E (0.47) LMNAKDM4EMEN1CASP1KMT2A
SCHEMBL28855524 0.73 ALDH1A1 (0.53) LMNAKDM4EMEN1KMT2ANPSR1
SCHEMBL3871079 0.73 ALDH1A1 (0.39) LMNAKDM4EMEN1CASP1KMT2A
SCHEMBL7701080 0.72 LRRK2 (0.56) KDM4E
SCHEMBL11340384 0.71 ALDH1A1 (0.57) LMNAKDM4EMEN1CASP1KMT2A
SCHEMBL4087847 0.69 ALDH1A1 (0.53) LMNAKDM4EMEN1CASP1KMT2A
SCHEMBL8089697 0.68 HTT (0.56) LMNAKDM4EMEN1KMT2ANPSR1
SCHEMBL15865355 0.68 ALDH1A1 (0.38) LMNAKDM4EMEN1CASP1KMT2A
SCHEMBL11339426 0.66 ALDH1A1 (0.44) LMNAKDM4EMEN1CASP1KMT2A

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 34 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-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
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-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
EP-1347980-A1 COMPOUNDS SPECIFIC TO ADENOSINE-A1,-A2A, AND- A3-RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2003-10-01 EP 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-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
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

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 LMNA 2896/4885KDM4E 4286/4885MEN1 2256/4885
US-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 LMNA 2549/4885KDM4E 4153/4885MEN1 2718/4885
US-20020058667-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 LMNA 2315/4885KDM4E 4358/4885MEN1 1367/4885
US-20030045536-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 LMNA 2315/4885KDM4E 4358/4885MEN1 1367/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 LMNA 1917/4885KDM4E 4390/4885MEN1 1223/4885
US-20020028782-A1 Pyrrolo [2, 3d] pyrimidine compositions and their use TYMP, UMPS, ADORA3 LMNA 4684/4885KDM4E 2499/4885MEN1 4737/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 LMNA 3028/4885KDM4E 3883/4885MEN1 2947/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 LMNA 2549/4885KDM4E 4153/4885MEN1 2718/4885

“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.