SCHEMBL3975232

SCHEMBL3975232

Cn1c(NCc2ccc(F)cc2)nc2c(c1=O)N(Cc1ccccc1)C(N1CCCC(N)C1)N2OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
DPP4 P27487 12/20 0.35
ALDH1A1 P00352 4/20 0.34
PKM P14618 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
STAT6 P42226 1/20 0.33
MDM2 Q00987 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
SCHEMBL1071796 0.97 DPP4 (0.37) MAPTHTTDPP4ALDH1A1PKM
SCHEMBL3965788 0.90 DPP4 (0.36) MAPTHTTDPP4USP2TSHR
SCHEMBL3971268 0.90 DPP4 (0.38) DPP4
SCHEMBL3971754 0.89 DPP4 (0.35) MAPTDPP4ALDH1A1MAPK1HIF1A
SCHEMBL3971303 0.88 DPP4 (0.37) DPP4
SCHEMBL3974663 0.88 DPP4 (0.41) DPP4
SCHEMBL3973460 0.87 TP53 (0.38) MAPTDPP4MEN1KMT2ATSHR
SCHEMBL3971380 0.87 DPP4 (0.40) DPP4
SCHEMBL3973726 0.86 DPP4 (0.39) DPP4
SCHEMBL3975266 0.85 DPP4 (0.39) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US 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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 MAPT 1182/4885HTT 4463/4885DPP4 1/4885

“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.