SCHEMBL3918515

SCHEMBL3918515

CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(-c3ccccc3)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.65
FAP Q12884 10/20 0.57
POU2F2 P09086 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
POU2F1 P14859 1/20 0.53
CHRM3 P20309 1/20 0.53
HRH2 P25021 1/20 0.53
MC4R P32245 1/20 0.53
DPP8 Q6V1X1 1/20 0.53
DPP9 Q86TI2 1/20 0.53
GHSR Q92847 1/20 0.53
RAB9A P51151 1/20 0.45
KCNH2 Q12809 2/20 0.44

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
SCHEMBL3919837 0.89 DPP4 (0.70) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL29350672 0.89 DPP4 (0.70) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL16794574 0.86 DPP4 (0.55) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL3917495 0.83 DPP4 (0.82) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL8273215 0.83 DPP4 (0.61) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL3918551 0.83 DPP4 (0.51) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL637987 0.80 DPP4 (0.64) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL637704 0.80 DPP4 (1.00) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL637705 0.80 DPP4 (1.00) DPP4FAPPOU2F2ADORA3CHRM1
SCHEMBL639200 0.80 DPP4 (1.00) DPP4FAPPOU2F2ADORA3CHRM1

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 22/4885POU2F2 1980/4885

“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.