SCHEMBL13039331

SCHEMBL13039331

Cc1n[nH]cc1-c1ccnc(NCCN2CCOCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 3/20 0.60
MKNK1 Q9BUB5 6/20 0.60
CDK4 P11802 1/20 0.51
GSK3B P49841 1/20 0.51
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FLT3 P36888 1/20 0.47
DYRK1A Q13627 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C9 P11712 1/20 0.45
CCNB2 O95067 1/20 0.44

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
SCHEMBL13039342 0.90 MKNK1 (0.49) EIF2AK2MKNK1CDK4GSK3BFLT3
SCHEMBL13039345 0.89 MKNK1 (0.51) EIF2AK2MKNK1CDK4GSK3BFLT3
SCHEMBL13039378 0.84 MKNK1 (0.58) EIF2AK2MKNK1CDK4GSK3BCCNB2
SCHEMBL13039359 0.77 HRH4 (0.44) EIF2AK2MKNK1GSK3BFLT3CCNT1
SCHEMBL13039360 0.77 EIF2AK2 (0.47) EIF2AK2MKNK1GSK3BCYP3A4ALDH1A1
SCHEMBL8233272 0.77 MKNK1 (0.60) EIF2AK2MKNK1CDK4GSK3BFLT3
SCHEMBL13039349 0.76 NMT1 (0.53) EIF2AK2MKNK1CDK4CDK1
SCHEMBL13039364 0.76 PIK3C3 (0.49) EIF2AK2MKNK1CDK4FLT3DYRK1B
SCHEMBL13039325 0.76 MKNK1 (0.51) EIF2AK2MKNK1CCNT1CDK9
SCHEMBL13039433 0.76 MKNK1 (0.48) EIF2AK2MKNK1CDK4GSK3BFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367687-B2 Pyrazole derivatives NOVARTIS AG (CH) 2013-02-05 US disclosed
US-8367687-B2 Pyrazole derivatives NOVARTIS AG (CH) 2013-02-05 US disclosed
US-20100280033-A1 Pyrazole Derivatives NOVARTIS AG 2010-11-04 US disclosed
US-20100280033-A1 Pyrazole Derivatives NOVARTIS AG 2010-11-04 US disclosed
WO-2009071701-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS INHIBITORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2009-06-11 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 (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-20100280033-A1 Pyrazole Derivatives PRKDC, PRKACA, PDK2 EIF2AK2 328/4885MKNK1 71/4885CDK4 32/4885

“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.