SCHEMBL3594489

SCHEMBL3594489

Cc1ccc(Cn2cnc(-c3ccc(F)cc3Cl)c2CN)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
DPP4 P27487 2/20 0.38
CYP11B2 P19099 2/20 0.38
LMNA P02545 1/20 0.38
CYP11B1 P15538 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NSD2 O96028 1/20 0.38
CDK9 P50750 1/20 0.36
HSD11B1 P28845 1/20 0.36
WDR5 P61964 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
NTSR1 P30989 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL3088769 0.93 CDK9 (0.39) MEN1KMT2ADPP4CYP11B2CYP11B1
SCHEMBL3100277 0.91 DPP4 (0.39) DPP4CYP11B2CYP11B1HTTSMN1; SMN2
SCHEMBL3088999 0.88 WDR5 (0.40) DPP4LMNAHTTSMN1; SMN2NSD2
SCHEMBL3096019 0.88 DPP4 (0.45) MEN1KMT2ADPP4CYP11B2CYP11B1
SCHEMBL3091436 0.88 DPP4 (0.46) MEN1KMT2ADPP4CYP11B2LMNA
SCHEMBL3091238 0.87 MDM2 (0.40) DPP4NSD2CDK9GRM2
SCHEMBL3595937 0.86 CDK9 (0.46) CDK9
SCHEMBL3096840 0.86 DPP4 (0.46) DPP4SMN1; SMN2KDM4E
SCHEMBL3078422 0.84 ALDH1A1 (0.38) MEN1KMT2ADPP4LMNAHTT
SCHEMBL3088280 0.83 SIRT5 (0.34) DPP4NSD2CDK9GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (2 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA MEN1 2732/4885KMT2A 1760/4885DPP4 147/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 MEN1 2776/4885KMT2A 2106/4885DPP4 372/4885

“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.