SCHEMBL3928813

SCHEMBL3928813

NCCc1cccc(-c2ncnc3[nH]cnc23)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.67
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
HTR7 P34969 1/20 0.40
KARS1 Q15046 1/20 0.40
TAAR1 Q96RJ0 7/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CDK8 P49336 2/20 0.36
CDK2 P24941 1/20 0.36
MERTK Q12866 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
MAP4K4 O95819 1/20 0.34

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
SCHEMBL3928894 0.83 AKT2 (0.63) AKT2PRKACAPRKACGPRKACBTAAR1
SCHEMBL3930183 0.83 AKT2 (0.67) AKT2PRKACAPRKACGPRKACBHTR7
SCHEMBL4071205 0.78 AKT2 (0.42) AKT2PRKACAPRKACGPRKACBMERTK
SCHEMBL2938674 0.76 JAK2 (0.54) AKT2PRKACAPRKACGPRKACBLRRK2
SCHEMBL18486378 0.74 TOP2A (0.49)
SCHEMBL15244912 0.72 AKT2 (0.55) AKT2HTR7KARS1TAAR1DRD2
SCHEMBL5266061 0.70 MAPK1 (0.50) AKT2PRKACAPRKACGPRKACBTAAR1
SCHEMBL17489713 0.70 CDK5 (0.47) LRRK2
SCHEMBL28780888 0.69 JAK2 (0.36) AKT2PRKACAPRKACGPRKACB
SCHEMBL12676222 0.69 NEK2 (0.53) AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
CN-101484173-A Pharmaceutical combinations of pk inhibitors and other active agents ASTEX THERAPEUTICS LTD (GB) 2009-07-15 CN disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US 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
EP-2016077-A2 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-01-21 EP disclosed
WO-2007125315-A2 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
EP-1812003-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2007-08-01 EP disclosed
WO-2006046023-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-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 AKT2 153/4885PRKACA 684/4885PRKACG 540/4885
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents PKN2, PKN1, PKN3 AKT2 523/4885PRKACA 233/4885PRKACG 330/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 AKT2 999/4885PRKACA 632/4885PRKACG 530/4885

“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.