SCHEMBL3975290

SCHEMBL3975290

CC#CCn1c(Br)nc2c1c(=O)n(Cc1ccc3nccnc3c1)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.50
ALDH1A1 P00352 4/20 0.50
HIF1A Q16665 3/20 0.50
FAP Q12884 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.43
CHRM1 P11229 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3918926 0.88 DPP4 (0.55) DPP4ALDH1A1HIF1AFAPSMN1; SMN2
SCHEMBL3917633 0.83 DPP4 (0.54) DPP4FAPSMN1; SMN2RAB9ATSHR
SCHEMBL8273216 0.82 DPP4 (0.46) DPP4ALDH1A1HIF1AFAPHPGD
SCHEMBL4469410 0.81 DPP4 (0.55) DPP4ALDH1A1HIF1AFAPSMN1; SMN2
SCHEMBL638095 0.81 ALDH1A1 (0.53) DPP4ALDH1A1HIF1AFAPSMN1; SMN2
SCHEMBL4486312 0.81 DPP4 (0.45) DPP4ALDH1A1FAPHPGDTSHR
SCHEMBL4486305 0.81 DPP4 (0.45) DPP4ALDH1A1FAPHPGDTSHR
SCHEMBL8273218 0.81 DPP4 (0.45) DPP4FAPCHRM1
SCHEMBL4482398 0.80 DPP4 (0.71) DPP4ALDH1A1HIF1AFAPSMN1; SMN2
SCHEMBL637987 0.80 DPP4 (0.64) DPP4FAPSMN1; SMN2RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
CN-1980930-B 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT 2012-11-21 CN disclosed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US disclosed
US-7495002-B2 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 US disclosed
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 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 (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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 DPP4 2/4885ALDH1A1 276/4885HIF1A 3444/4885
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 DPP4 1/4885ALDH1A1 407/4885HIF1A 4354/4885

“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.