SCHEMBL13039366

SCHEMBL13039366

CC(=O)NCCNc1nccc(-c2c[nH]nc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 4/20 0.45
CYP1A2 P05177 4/20 0.43
CLK4 Q9HAZ1 3/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 1/20 0.43
PDCD1 Q15116 3/20 0.40
CD274 Q9NZQ7 3/20 0.40
JAK2 O60674 1/20 0.40
CDK2 P24941 4/20 0.38
CDK9 P50750 4/20 0.38
AURKA O14965 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CDK7 P50613 1/20 0.38
AURKB Q96GD4 1/20 0.38
CCNT1 O60563 3/20 0.37
CCNA2 P20248 3/20 0.37

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
SCHEMBL13039364 0.82 PIK3C3 (0.49) EIF2AK2MAPK1CDK2CDK9CDK1
SCHEMBL13039360 0.81 EIF2AK2 (0.47) EIF2AK2CYP1A2CLK4CYP3A4HSD17B10
SCHEMBL13039359 0.81 HRH4 (0.44) EIF2AK2CDK2CDK9CCNT1CCNA2
SCHEMBL13039325 0.80 MKNK1 (0.51) EIF2AK2CDK2CDK9CCNT1CCNA2
SCHEMBL13039329 0.79 BRAF (0.41) EIF2AK2CDK2CDK9CCNT1CCNA2
SCHEMBL13039341 0.79 EIF2AK2 (0.55) EIF2AK2CLK4HSD17B10CDK2CDK9
SCHEMBL13039322 0.78 CCNT1 (0.60) EIF2AK2CDK2CDK9CCNT1CCNA2
SCHEMBL13039361 0.78 MKNK1 (0.44) EIF2AK2MKNK1
SCHEMBL13039379 0.77 EIF2AK2 (0.40) EIF2AK2MAPK1CCNT1BRAF
SCHEMBL13039330 0.77 HTR7 (0.50) EIF2AK2ALDH1A1CDK2CDK9CCNT1

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 328/4885CYP1A2 1815/4885CLK4 755/4885

“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.