SCHEMBL3918551

SCHEMBL3918551

CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc3ccccc3c3ccccc13)c(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.51
FAP Q12884 9/20 0.51
CHRM1 P11229 2/20 0.48
DPP9 Q86TI2 2/20 0.48
POU2F2 P09086 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
POU2F1 P14859 1/20 0.48
CHRM3 P20309 1/20 0.48
HRH2 P25021 1/20 0.48
MC4R P32245 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
GHSR Q92847 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL29350672 0.85 DPP4 (0.70) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL3919282 0.85 DPP4 (0.64) DPP4FAPCHRM1DPP9RAB9A
SCHEMBL3919837 0.85 DPP4 (0.70) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL638215 0.83 DPP4 (0.55) DPP4FAPCHRM1RAB9A
SCHEMBL637987 0.83 DPP4 (0.64) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL3918515 0.83 DPP4 (0.65) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL3918944 0.82 DPP4 (0.54) DPP4FAPCHRM1
SCHEMBL8273232 0.82 DPP4 (0.46) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL3922620 0.82 DPP4 (0.77) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL16794574 0.82 DPP4 (0.55) DPP4FAPCHRM1DPP9POU2F2

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-7550455-B2 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US disclosed
US-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 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-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition DPP8, DPP4, DPP7 DPP4 2/4885FAP 22/4885CHRM1 290/4885

“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.