SCHEMBL3092284

SCHEMBL3092284

CC(C)(C)Cn1cnc(-c2ccc(F)cc2F)c1CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
MAPK14 Q16539 4/20 0.43
TGFBR1 P36897 5/20 0.39
KIT P10721 2/20 0.36
NSD2 O96028 2/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
CDK7 P50613 1/20 0.36
KCNH2 Q12809 1/20 0.36
PIM3 Q86V86 1/20 0.36
HASPIN Q8TF76 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
NSD3 Q9BZ95 2/20 0.34
MYC P01106 1/20 0.34
ADORA2A P29274 2/20 0.34
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MAPK13 O15264 1/20 0.33

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
SCHEMBL3595387 0.87 DPP4 (0.40) DPP4MAPK14TGFBR1NSD2
SCHEMBL3096357 0.82 DPP4 (0.41) DPP4MAPK14TGFBR1KITNSD2
SCHEMBL3096527 0.82 DPP4 (0.41) DPP4MAPK14TGFBR1KITNSD2
SCHEMBL3096790 0.81 DPP4 (0.40) DPP4MAPK14TGFBR1KITNSD2
SCHEMBL3103140 0.80 DPP4 (0.40) DPP4TGFBR1ADORA2API4KAPI4K2B
SCHEMBL3096387 0.79 CDK9 (0.43) DPP4MAPK14
SCHEMBL3087715 0.79 DPP4 (0.39) DPP4TGFBR1ADORA2AADORA1
SCHEMBL13316386 0.78 BCL2L2 (0.39) DPP4MAPK14TGFBR1
SCHEMBL3096567 0.78 DPP4 (0.46) DPP4
SCHEMBL3090731 0.78 P2RX7 (0.39) DPP4TGFBR1KIT

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 11 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-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-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
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 DPP4 147/4885MAPK14 3977/4885TGFBR1 860/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885MAPK14 3727/4885TGFBR1 937/4885

“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.