SCHEMBL4413342

SCHEMBL4413342

O=C(O)n1ccc2c(Nc3cccnc3)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
CDK5R1 Q15078 1/20 0.47
MAPK1 P28482 3/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.44
RAF1 P04049 1/20 0.44
CYP1A2 P05177 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPK14 Q16539 1/20 0.43
ADK P55263 2/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
CD38 P28907 1/20 0.43
PIP4K2A P48426 2/20 0.43
PIK3CG P48736 2/20 0.43

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
SCHEMBL4421383 0.79 RAB9A (0.57) CDK2CDK5DYRK1AMAPK1LMNA
SCHEMBL4415185 0.79 LMNA (0.58) MAPK1LMNAHIF1AALDH1A1POLB
SCHEMBL4414264 0.79 MAPT (0.57) CYP3A4LMNACYP1A2ALDH1A1MAPT
SCHEMBL4427009 0.79 AURKA (0.58) AURKARPS6KB1AURKBKDM4E
SCHEMBL4412666 0.77 PIP4K2A (0.48) ADKALDH1A1POLBPIP4K2APIK3CG
SCHEMBL4423001 0.77 ALDH1A1 (0.54) MAPK1LMNARAF1ALDH1A1POLB
SCHEMBL5033064 0.76 TP53 (0.59) ALDH1A1POLBPIP4K2APIK3CGAURKA
SCHEMBL4416404 0.76 ABCG2 (0.57) MAPK1CYP3A4LMNACYP1A2MAPK14
SCHEMBL4415661 0.76 EGFR (0.52) LMNARAF1MAPK14ALDH1A1POLB
SCHEMBL4415573 0.76 PIP4K2A (0.47) MAP4K4DYRK1AMAPK1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP claimed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US claimed
JP-2007504159-A 2007-03-01 JP claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 WO claimed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 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 (1 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-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS LCK, FYN, BMX MAP4K4 84/4885CCNA2 2839/4885CDK2 382/4885

“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.