SCHEMBL2780797

SCHEMBL2780797

NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 14/20 0.67
AKT1 P31749 10/20 0.67
ROCK2 O75116 7/20 0.67
AKT3 Q9Y243 7/20 0.67
KCNH2 Q12809 6/20 0.65
CYP2C9 P11712 1/20 0.65
JAK3 P52333 1/20 0.62

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
SCHEMBL19587013 0.90 AKT2 (0.65) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493044 0.88 AKT2 (0.67) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493038 0.88 AKT2 (0.68) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493037 0.87 AKT2 (0.64) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493035 0.86 AKT2 (0.66) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493036 0.86 AKT2 (0.68) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493042 0.86 AKT2 (0.68) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL10156821 0.85 JAK3 (0.59) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493043 0.85 AKT2 (0.65) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493045 0.85 AKT2 (0.65) AKT2AKT1ROCK2AKT3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US claimed
CN-101627042-A Substituted piperidines containing a heteroarylamide or heteroarylphenyl moiety ASTEX THERAPEUTICS LTD 2010-01-13 CN claimed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP claimed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO claimed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
US-9006430-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein ASTEX THERAPEUTICS LIMITED (GB) 2015-04-14 US disclosed
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-10-09 US disclosed
EP-2272517-B1 Ortho-condensed pyridine and pyrimidine derivatives ( e.g. purines ) as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-10-01 EP disclosed
US-8809336-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein kinases inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-08-19 US disclosed
CN-101490050-A Pharmaceutical compounds ASTEX THERAPEUTICS LTD (GB) 2009-07-22 CN disclosed
EP-2043655-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-04-08 EP disclosed
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents ASTEX THERAPEUTICS LIMITED (GB) 2009-03-26 US disclosed
EP-2037931-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS Astex Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2007125321-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125310-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2006046024-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 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 (3 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-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS CDK2, CDK1, CDK3 AKT2 605/4885AKT1 476/4885ROCK2 1041/4885
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents PKN2, PKN1, PKN3 AKT2 523/4885AKT1 462/4885ROCK2 369/4885
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 AKT2 27/4885AKT1 40/4885ROCK2 83/4885

“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.