SCHEMBL3973460

SCHEMBL3973460

Cn1c(NC2CCCCC2)nc2c(c1=O)N(Cc1ccccc1)C(N1CCCC(N)C1)N2OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE5A O76074 2/20 0.36
DPP4 P27487 9/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KAT2B Q92831 5/20 0.33
MAPT P10636 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
SCHEMBL3971268 0.92 DPP4 (0.38) DPP4
SCHEMBL3971754 0.90 DPP4 (0.35) MAPK1DPP4MAPT
SCHEMBL3971303 0.90 DPP4 (0.37) DPP4
SCHEMBL1071796 0.90 DPP4 (0.37) DPP4MEN1KMT2AMAPT
SCHEMBL3965788 0.89 DPP4 (0.36) TP53TSHRMAPK1HSD17B10DPP4
SCHEMBL3971380 0.88 DPP4 (0.40) DPP4
SCHEMBL3973726 0.88 DPP4 (0.39) DPP4
SCHEMBL3975266 0.87 DPP4 (0.39) DPP4
SCHEMBL3975232 0.87 MAPT (0.38) TSHRMAPK1DPP4MEN1KMT2A
SCHEMBL3971512 0.86 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 TP53 4315/4885TSHR 2158/4885MAPK1 1025/4885

“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.