SCHEMBL4975495

SCHEMBL4975495

[AsH2]c1ncnc2[nH]ncc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.61
RET P07949 1/20 0.61
PI4KA P42356 1/20 0.61
LRRK2 Q5S007 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
PDPK1 O15530 1/20 0.55
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGDS O60760 1/20 0.47
MKNK1 Q9BUB5 3/20 0.45
CYP1A2 P05177 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL28839743 0.76 XDH (0.63) XDHRETPI4KALRRK2PI4K2B
SCHEMBL11363 0.76 XDH (1.00) XDHRETPI4KALRRK2PI4K2B
SCHEMBL30763272 0.76 XDH (0.63) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29351045 0.76 XDH (1.00) XDHRETPI4KALRRK2PI4K2B
Allopurinol SCHEMBL29693720 0.74 XDH (0.61) XDHRETPI4KALRRK2PI4K2B
SCHEMBL15504523 0.74 XDH (0.61) XDHRETPI4KALRRK2PI4K2B
Hydrochloric Acid SCHEMBL30403903 0.74 XDH (0.96) XDHRETPI4KALRRK2PI4K2B
Allopurinol SCHEMBL4627 0.74 XDH (0.61) XDHRETPI4KALRRK2PI4K2B
Allopurinol SCHEMBL4708652 0.74 XDH (0.61) XDHRETPI4KALRRK2PI4K2B
Allopurinol SCHEMBL137084 0.72 XDH (0.59) XDHRETPI4KALRRK2PI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 EP disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 WO disclosed
US-20010018514-A1 NUCLEIC ACID LABELING COMPOUNDS AFFYMETRIX, INC. 2001-08-30 US 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-20010018514-A1 NUCLEIC ACID LABELING COMPOUNDS RNGTT, DUT, FBL XDH 1169/4885RET 3034/4885PI4KA 4122/4885

“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.