SCHEMBL20041912

SCHEMBL20041912

CC#CCn1c(Br)nc2c1c(=O)n(Cc1cc(F)c(F)cc1C#N)c(=O)n2C

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.65
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4487837 0.84 KMT2A (0.60) DPP4LMNATSHRSMN1; SMN2KMT2A
SCHEMBL20041938 0.83 DPP4 (0.65) DPP4LMNATSHRSMN1; SMN2HPGD
SCHEMBL20248003 0.79 DPP4 (0.86) DPP4
SCHEMBL20041914 0.79 DPP4 (1.00) DPP4
SCHEMBL24250256 0.79 DPP4 (1.00) DPP4
SCHEMBL497449 0.78 DPP4 (0.50) DPP4LMNATSHRSMN1; SMN2HPGD
SCHEMBL4469410 0.78 DPP4 (0.55) DPP4LMNATSHRSMN1; SMN2HPGD
SCHEMBL4482398 0.77 DPP4 (0.71) DPP4LMNATSHRSMN1; SMN2HPGD
SCHEMBL20041950 0.77 DPP4 (0.63) DPP4LMNATSHRSMN1; SMN2HPGD
SCHEMBL3918944 0.76 DPP4 (0.54) DPP4KMT2A

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 5 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-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 (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-20180162860-A1 XANTHINE DERIVATIVE XDH, CXCR1, CBR1 DPP4 1294/4885LMNA 791/4885TSHR 1616/4885

“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.