SCHEMBL3096790

SCHEMBL3096790

NCc1c(-c2ccc(F)cc2F)ncn1Cc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
TGFBR1 P36897 4/20 0.38
RORC P51449 1/20 0.38
SLC29A1 Q99808 1/20 0.37
KIT P10721 1/20 0.34
ROCK2 O75116 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
NSD2 O96028 2/20 0.33
BCL2L2 Q92843 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
RIPK1 Q13546 1/20 0.32
IDO1 P14902 1/20 0.32
AGXT P21549 1/20 0.32
MYC P01106 1/20 0.32
NSD3 Q9BZ95 1/20 0.32

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
SCHEMBL3087445 0.92 DPP4 (0.37) DPP4TGFBR1RORCSLC29A1KIT
SCHEMBL3096527 0.91 DPP4 (0.41) DPP4TGFBR1SLC29A1KITNSD2
SCHEMBL3087715 0.90 DPP4 (0.39) DPP4TGFBR1RORCBCL2L2
SCHEMBL3089159 0.89 CNR1 (0.40) DPP4SLC29A1ROCK2
SCHEMBL3084453 0.87 CNR1 (0.45) DPP4
SCHEMBL3090731 0.86 P2RX7 (0.39) DPP4TGFBR1RORCKIT
SCHEMBL3096357 0.86 DPP4 (0.41) DPP4TGFBR1KITNSD2MAPK13
SCHEMBL3091396 0.84 KDM4C (0.43) DPP4TGFBR1MAPK13MAPK12MAPK11
SCHEMBL3103140 0.84 DPP4 (0.40) DPP4TGFBR1BCL2L2
SCHEMBL3096387 0.82 CDK9 (0.43) DPP4ROCK2BCL2L2MAPK14

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 147/4885TGFBR1 860/4885RORC 1418/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885TGFBR1 937/4885RORC 1676/4885

“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.