SCHEMBL3425599

SCHEMBL3425599

Clc1nc(Cl)c2c(ncn2COCc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
BCHE P06276 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AGER Q15109 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DAPK1 P53355 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPK14 Q16539 1/20 0.34
KMT2A Q03164 1/20 0.34
TNF P01375 1/20 0.33

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
SCHEMBL30496453 1.00 ADORA2A (0.39) ADORA2ABCHEYTHDC1SMN1; SMN2TSHR
SCHEMBL183167 0.83 YTHDC1 (0.47) ADORA2AYTHDC1SMN1; SMN2TSHRALDH1A1
SCHEMBL29601245 0.83 YTHDC1 (0.47) ADORA2AYTHDC1SMN1; SMN2TSHRALDH1A1
SCHEMBL3422012 0.79 ADORA2A (0.51) ADORA2AYTHDC1TSHRCYP2D6CYP2C9
SCHEMBL3426471 0.78 SMN1; SMN2 (0.48) ADORA2ASMN1; SMN2ALDH1A1GAAMAPK14
SCHEMBL9928488 0.76 DGAT1 (0.36)
SCHEMBL31138390 0.76 DGAT1 (0.36)
SCHEMBL30496448 0.76 CYP11B1 (0.50) YTHDC1SMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL21883488 0.76 CYP11B1 (0.50) YTHDC1SMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL8306393 0.75 CNOT7 (0.34) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP claimed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP claimed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US claimed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO claimed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO claimed
US-12157739-B2 Hypoxanthine compounds KISSEI PHARMACEUTICAL CO., LTD. (JP) 2024-12-03 US disclosed
CN-112673008-B Hypoxanthine compounds 橘生药品工业株式会社 2023-07-18 CN disclosed
US-20210214357-A1 HYPOXANTHINE COMPOUNDS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-07-15 US disclosed
US-20210214357-A1 HYPOXANTHINE COMPOUNDS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-07-15 US disclosed
EP-3819299-A1 HYPOXANTHINE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-12 EP disclosed
EP-3819299-A1 HYPOXANTHINE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-12 EP disclosed
CN-112673008-A Hypoxanthine compound 橘生药品工业株式会社 2021-04-16 CN disclosed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP disclosed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US disclosed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO 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 (6 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-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ADORA2A 3048/4885BCHE 139/4885YTHDC1 4385/4885
US-12157739-B2 Hypoxanthine compounds HPRT1, APRT, IMPDH1 ADORA2A 1186/4885BCHE 2485/4885YTHDC1 651/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 ADORA2A 3225/4885BCHE 16/4885YTHDC1 4018/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ADORA2A 2893/4885BCHE 71/4885YTHDC1 4747/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ADORA2A 2752/4885BCHE 61/4885YTHDC1 4771/4885
US-20210214357-A1 HYPOXANTHINE COMPOUNDS HPRT1, DHPS, PAH ADORA2A 2291/4885BCHE 3074/4885YTHDC1 611/4885

“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.