SCHEMBL1772989

SCHEMBL1772989

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ncc3ccccc3c1C#N)c(=O)n2C

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.77
▸ CHRM1 P11229 2/20 0.72
▸ POU2F2 P09086 1/20 0.67
▸ ADORA3 P0DMS8 1/20 0.67
▸ POU2F1 P14859 1/20 0.67
▸ CHRM3 P20309 1/20 0.67
▸ HRH2 P25021 1/20 0.67
▸ MC4R P32245 1/20 0.67
▸ FAP Q12884 1/20 0.67
▸ DPP8 Q6V1X1 1/20 0.67
▸ DPP9 Q86TI2 1/20 0.67
▸ GHSR Q92847 1/20 0.67
▸ KCNH2 Q12809 1/20 0.64

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
SCHEMBL1772988 1.00 DPP4 (0.77) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL12649743 0.92 DPP4 (0.65) DPP4CHRM1
SCHEMBL20895848 0.90 DPP4 (0.62) DPP4CHRM1
SCHEMBL20895847 0.90 DPP4 (0.62) DPP4CHRM1
SCHEMBL3975831 0.90 DPP4 (0.84) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL3975825 0.90 DPP4 (0.84) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL8269946 0.89 DPP4 (0.61) DPP4CHRM1KCNH2
SCHEMBL13923854 0.88 DPP4 (0.62) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL638984 0.87 DPP4 (1.00) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL638495 0.87 DPP4 (1.00) DPP4CHRM1POU2F2ADORA3POU2F1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 — — EP claimed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 — — US claimed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 — — EP disclosed
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 — — EP disclosed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 — — US disclosed
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
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 — — US disclosed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 — — EP 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
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 — — WO 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 (3 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 2/4885CHRM1 1139/4885POU2F2 2574/4885
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 DPP4 2688/4885CHRM1 4329/4885POU2F2 1250/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 DPP4 3263/4885CHRM1 4301/4885POU2F2 1051/4885

“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.

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