SCHEMBL3334004

SCHEMBL3334004

CC#CCn1c(Br)nc2c1c(=O)n(Cc1cc3ccccn3c1)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.49
FAP Q12884 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 6/20 0.48
HIF1A Q16665 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 7/20 0.46
TSHR P16473 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.42
STAT6 P42226 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
BRAF P15056 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
SCHEMBL639090 0.81 DPP4 (0.46) DPP4FAPRAB9AALDH1A1HIF1A
SCHEMBL3339058 0.80 DPP4 (0.70) DPP4FAP
SCHEMBL638095 0.79 ALDH1A1 (0.53) DPP4FAPRAB9AALDH1A1HIF1A
SCHEMBL4482398 0.77 DPP4 (0.71) DPP4FAPRAB9AALDH1A1HIF1A
SCHEMBL638411 0.77 DPP4 (0.49) DPP4FAPRAB9AALDH1A1HIF1A
SCHEMBL4469410 0.77 DPP4 (0.55) DPP4FAPRAB9AALDH1A1HIF1A
SCHEMBL3918926 0.76 DPP4 (0.55) DPP4FAPRAB9AALDH1A1HIF1A
SCHEMBL3975290 0.76 DPP4 (0.50) DPP4FAPRAB9AALDH1A1HIF1A
SCHEMBL3918551 0.76 DPP4 (0.51) DPP4FAPRAB9ALMNATSHR
SCHEMBL4487837 0.75 KMT2A (0.60) DPP4RAB9AALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US disclosed
US-7696212-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2010-04-13 US disclosed
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 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-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 DPP4 1/4885FAP 51/4885RAB9A 3652/4885
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 DPP4 1/4885FAP 51/4885RAB9A 3652/4885

“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.