SCHEMBL6323351

SCHEMBL6323351

O=c1[nH]ncc2nccnc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 3/20 0.35
PARP1 P09874 1/20 0.35
PRKCI P41743 1/20 0.35
PDE4B Q07343 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
XDH P47989 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ADORA2A P29274 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MKNK1 Q9BUB5 1/20 0.32
DYRK1A Q13627 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL19152631 0.72 ALDH1A1 (0.37) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL19153372 0.72 KDM4E (0.38) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL7536489 0.70 HTT (0.38) XDHLMNATSHRADORA2ASLC6A4
SCHEMBL5964461 0.69 PARP1 (0.53) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL7366251 0.69 PARP1 (0.53) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL18238450 0.69 HSD17B10 (0.33) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL18238040 0.69 ALDH1A1 (0.33) SLC2A1ALDH1A1PARP1PRKCIPDE4B
Hydrochloric Acid SCHEMBL29539819 0.68 PARP1 (0.52) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL14912053 0.67 AURKA (0.41) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL19153720 0.67 ALDH1A1 (0.43) SLC2A1ALDH1A1PARP1PRKCIPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947729-A Preparation method of intermediate of aldose reductase inhibitor 成都新源康成医药科技有限公司 2023-04-11 CN claimed
CN-115947729-A Preparation method of intermediate of aldose reductase inhibitor 成都新源康成医药科技有限公司 2023-04-11 CN disclosed
CN-115947729-A Preparation method of intermediate of aldose reductase inhibitor 成都新源康成医药科技有限公司 2023-04-11 CN disclosed
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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 (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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 SLC2A1 2330/4885ALDH1A1 338/4885PARP1 1/4885

“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.