SCHEMBL4429947

SCHEMBL4429947

O=Cc1[nH]ncc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.53
AKT2 P31751 1/20 0.53
LMNA P02545 1/20 0.53
TEK Q02763 1/20 0.49
RPS6KA3 P51812 3/20 0.47
AURKA O14965 1/20 0.47
CDK1 P06493 1/20 0.47
LYN P07948 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
GSK3B P49841 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
ERBB4 Q15303 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
MARK2 Q7KZI7 1/20 0.47

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
SCHEMBL5248907 0.71 RPS6KA3 (0.81) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL31339157 0.69 RPS6KA3 (0.59) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL105178 0.69 AKT2 (1.00) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL461478 0.69 LMNA (1.00) AKT1AKT2LMNARPS6KA3AURKA
Bromide SCHEMBL11756541 0.69 RPS6KA3 (0.79) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL8212288 0.69 AKT1 (0.53) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL27991335 0.69 LMNA (0.54) AKT1LMNARPS6KA3AURKACDK1
SCHEMBL1127261 0.68 MAPT (0.53) RPS6KA3FGFR1PRKACAALDH1A1MEN1
SCHEMBL15579660 0.68 RPS6KA3 (0.53) AKT1AKT2LMNARPS6KA3AURKA
SCHEMBL10981794 0.68 AKT1 (0.52) AKT1AKT2LMNARPS6KA3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
CN-101610761-A 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor NOVARTIS AG (CH) 2009-12-23 CN disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 AKT1 4064/4885AKT2 4058/4885LMNA 4502/4885

“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.