SCHEMBL5719315

SCHEMBL5719315

Cn1c(=O)c2c(nc(Cl)n2-c2ccccc2Cl)n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
ADORA2B P29275 2/20 0.49
ADORA2A P29274 2/20 0.49
RECQL P46063 1/20 0.47
P2RX7 Q99572 1/20 0.46
MAOB P27338 4/20 0.46
MAOA P21397 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5719032 0.84 HTT (0.48) HTTCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL555620 0.83 ADORA2B (0.55) LMNAHTTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL5719678 0.79 DPP4 (0.68) TSHRCYP2C19SMN1; SMN2CYP3A4CYP2C9
SCHEMBL5719394 0.78 POLB (0.53) TSHRHTTALDH1A1KDM4E
SCHEMBL556819 0.77 MAOB (0.54) HTTCYP1A2CYP2C19SMN1; SMN2CYP3A4
SCHEMBL2962650 0.77 ALDH1A1 (0.38) TSHRLMNAHTTCYP1A2CYP2C19
SCHEMBL5771254 0.76 HTR2A (0.50) TSHRLMNACYP2C19SMN1; SMN2CYP3A4
Trifluoroacetic Acid SCHEMBL5718915 0.76 L3MBTL1 (0.44) LMNAHTTADORA2BADORA2AMAOB
SCHEMBL1812073 0.76 ALDH1A1 (0.58) TSHRLMNAHTTCYP1A2CYP2C19
SCHEMBL5719318 0.76 P2RX7 (0.60) TSHRLMNAHTTCYP2C19SMN1; SMN2

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
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 TSHR 2113/4885LMNA 4075/4885HTT 4090/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 TSHR 936/4885LMNA 4583/4885HTT 3208/4885

“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.