SCHEMBL2997089

SCHEMBL2997089

CC(C)=CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1OC(=O)C(F)(F)F)c(=O)n2C

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.75
CHRM1 P11229 3/20 0.72
CHRM2 P08172 1/20 0.72
CHRM3 P20309 1/20 0.72
KCNH2 Q12809 1/20 0.72

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
SCHEMBL556139 0.92 DPP4 (0.77) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL555713 0.90 DPP4 (0.88) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556575 0.89 DPP4 (0.77) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL637434 0.88 DPP4 (0.78) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556156 0.88 DPP4 (0.77) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL637919 0.88 DPP4 (0.77) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL2997087 0.88 DPP4 (0.76) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556897 0.87 DPP4 (0.76) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556490 0.87 DPP4 (0.76) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL637179 0.86 DPP4 (0.81) DPP4CHRM1CHRM2CHRM3KCNH2

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
CN-101293888-B Xanthine derivative, production and use thereof as a medicament BOEHRINGER INGELHEIM PHARMA 2013-09-25 CN disclosed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 US disclosed
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 US disclosed
CN-101293888-A Xanthine derivative, production and use thereof as a medicament BOEHRINGER INGELHEIM PHARMA (DE) 2008-10-29 CN disclosed
CN-100408579-C Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2008-08-06 CN disclosed
CN-1492870-A Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-28 CN 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-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 334/4885CHRM2 599/4885
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 334/4885CHRM2 599/4885

“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.