SCHEMBL20041938

SCHEMBL20041938

CC#CCn1c(Br)nc2c1c(=O)n(Cc1cccc(F)c1C#N)c(=O)n2C

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.65
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3971216 0.87 DPP4 (0.51) DPP4TSHRLMNASMN1; SMN2CYP2C9
SCHEMBL4487837 0.85 KMT2A (0.60) DPP4TSHRLMNASMN1; SMN2CYP2C9
SCHEMBL20041912 0.83 DPP4 (0.65) DPP4TSHRLMNASMN1; SMN2CYP2C9
SCHEMBL20248004 0.80 DPP4 (0.85) DPP4
SCHEMBL4482398 0.79 DPP4 (0.71) DPP4TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL20041916 0.79 DPP4 (1.00) DPP4
SCHEMBL4469410 0.79 DPP4 (0.55) DPP4TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL19315964 0.77 DPP4 (0.45) DPP4TSHRLMNASMN1; SMN2CYP2C9
SCHEMBL497449 0.77 DPP4 (0.50) DPP4TSHRLMNASMN1; SMN2KMT2A
SCHEMBL637987 0.76 DPP4 (0.64) DPP4TSHRLMNASMN1; SMN2CYP2C9

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 1294/4885TSHR 1616/4885LMNA 791/4885

“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.