SCHEMBL5719366

SCHEMBL5719366

C=CCn1c(Cl)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
USP2 O75604 1/20 0.61
LMNA P02545 2/20 0.60
PKM P14618 1/20 0.60
POLB P06746 3/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HPGD P15428 7/20 0.56
HSD17B10 Q99714 3/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 6/20 0.55
TNF P01375 1/20 0.54
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL837415 0.85 TSHR (0.49) ALDH1A1USP2LMNAPKMPOLB
SCHEMBL24113579 0.84 MAPK1 (0.74) ALDH1A1USP2LMNAPKMPOLB
SCHEMBL836795 0.84 ALDH1A1 (0.49) ALDH1A1USP2LMNAPKMPOLB
SCHEMBL13217346 0.84 ALDH1A1 (0.62) ALDH1A1LMNAPOLBHPGDHSD17B10
SCHEMBL637379 0.83 ALDH1A1 (0.61) ALDH1A1USP2LMNAPOLBMEN1
SCHEMBL835360 0.83 TSHR (0.52) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL3187590 0.82 TSHR (0.46) ALDH1A1USP2LMNAPKMPOLB
SCHEMBL837428 0.82 MEN1 (0.55) ALDH1A1USP2LMNAPOLBMEN1
SCHEMBL3121131 0.81 MEN1 (0.54) ALDH1A1USP2LMNAPOLBMEN1
SCHEMBL3103672 0.80 ALDH1A1 (0.44) ALDH1A1USP2LMNAPKMPOLB

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-3251675-B1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE SHANTON PHARMA PTE LTD (SG) 2021-04-21 EP disclosed
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 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 (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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 ALDH1A1 112/4885USP2 2855/4885LMNA 4075/4885

“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.