SCHEMBL21049189

SCHEMBL21049189

Sc1nc2cccnc2n1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
PDE4B Q07343 7/20 0.37
PDK2 Q15119 1/20 0.36
PDE4D Q08499 2/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL29678282 0.81 SLC22A12 (0.60) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL21049171 0.81 SLC22A12 (0.60) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL21049176 0.80 CYP3A4 (0.40) CYP2C19CYP3A4CYP1A2PDE4BPDE4D
SCHEMBL21093644 0.80 SLC22A12 (0.48) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851135 0.80 SLC22A12 (0.57) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851156 0.80 SLC22A12 (0.56) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL21049180 0.77 SLC22A12 (0.60) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL30062993 0.77 SLC22A12 (0.60) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL21093679 0.77 SLC22A12 (0.55) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851127 0.77 SLC22A12 (0.45) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495362-B1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF UNIV SHANDONG (CN) 2021-10-27 EP disclosed
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SHANDONG UNIVERSITY (CN) 2019-09-03 US disclosed
US-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SHANDONG UNIVERSITY (CN) 2019-07-25 US disclosed
EP-3495362-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shandong University (CN) 2019-06-12 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-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SLC29A1, SLC28A1, SLC5A1 SLC22A12 118/4885CYP2C9 292/4885CYP2C19 1044/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 SLC22A12 163/4885CYP2C9 254/4885CYP2C19 907/4885

“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.