SCHEMBL20041914

SCHEMBL20041914

CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1cc(F)c(F)cc1C#N)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
CHRM1 P11229 1/20 0.65

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
SCHEMBL24250256 1.00 DPP4 (1.00) DPP4CHRM1
SCHEMBL20248003 0.92 DPP4 (0.86) DPP4
SCHEMBL3971994 0.91 DPP4 (0.83) DPP4
SCHEMBL3971991 0.91 DPP4 (0.83) DPP4
SCHEMBL3964977 0.91 DPP4 (0.83) DPP4
SCHEMBL3964982 0.91 DPP4 (0.83) DPP4
SCHEMBL24311071 0.90 DPP4 (0.82) DPP4CHRM1
SCHEMBL3967057 0.89 DPP4 (0.80) DPP4
SCHEMBL3967050 0.89 DPP4 (0.80) DPP4
SCHEMBL3971324 0.88 DPP4 (0.78) DPP4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305787-B1 XANTHINE DERIVATIVE JIANGSU TASLY DIYI PHARMACEUTICAL CO LTD (CN) 2022-02-16 EP disclosed
CN-107709324-B Xanthine derivatives 江苏天士力帝益药业有限公司 2021-06-08 CN disclosed
CN-106188058-B Xanthine derivatives 江苏天士力帝益药业有限公司 2020-11-06 CN disclosed
US-10358449-B2 Xanthine derivative Jiangsu Tasly Diyi Pharmaceutical Co, LTD. (CN) 2019-07-23 US disclosed
US-20180162860-A1 XANTHINE DERIVATIVE JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2018-06-14 US disclosed
US-20180162860-A1 XANTHINE DERIVATIVE JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2018-06-14 US disclosed
EP-3305787-A1 XANTHINE DERIVATIVE Jiangsu Tasly Diyi Pharmaceutical Co., Ltd. (CN) 2018-04-11 EP 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-20180162860-A1 XANTHINE DERIVATIVE XDH, CXCR1, CBR1 DPP4 1294/4885CHRM1 56/4885
US-10358449-B2 Xanthine derivative XDH, CXCR1, CBR1 DPP4 1294/4885CHRM1 56/4885

“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.