SCHEMBL20041920

SCHEMBL20041920

CC#CCn1c(Br)nc2c1c(=O)n(Cc1ncccc1C(=O)OC)c(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.66
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.42
DPP9 Q86TI2 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL497449 0.82 DPP4 (0.50) DPP4SMN1; SMN2KMT2ALMNARAB9A
SCHEMBL20248001 0.81 DPP4 (0.85) DPP4
SCHEMBL20041946 0.80 DPP4 (1.00) DPP4
SCHEMBL20041939 0.80 DPP4 (1.00) DPP4
SCHEMBL26661309 0.80 DPP4 (0.67) DPP4SMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL638215 0.79 DPP4 (0.55) DPP4SMN1; SMN2ALDH1A1RAB9A
SCHEMBL638365 0.78 DPP4 (0.46) DPP4SMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL20041950 0.77 DPP4 (0.63) DPP4SMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL637295 0.76 SMN1; SMN2 (0.53) DPP4SMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL3917633 0.76 DPP4 (0.54) DPP4SMN1; SMN2CYP2C9CYP2C19LMNA

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 3 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
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 1294/4885SMN1; SMN2 2841/4885MEN1 2068/4885

“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.