SCHEMBL6515018

SCHEMBL6515018

Cc1nc2ncnc(NN)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 1/20 0.44
▸ NUDT1 P36639 3/20 0.41
▸ GSK3B P49841 1/20 0.39
▸ KIT P10721 1/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ CSF1R P07333 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PI4KA P42356 2/20 0.33
▸ PI4K2B Q8TCG2 2/20 0.33
▸ PI4K2A Q9BTU6 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ CDK2 P24941 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
SCHEMBL20420132 0.83 AKT2 (0.42) AKT2NUDT1GSK3BKITADORA2A
SCHEMBL16513126 0.80 BRAF (0.45) AKT2GSK3BKIT
SCHEMBL1059581 0.75 NUDT1 (0.68) AKT2NUDT1ADORA2AADORA1PI4KA
SCHEMBL8009111 0.72 CSF1R (0.71) CSF1RCYP1A2PI4KAPI4K2BPI4K2A
SCHEMBL9544742 0.71 AKT2 (0.44) AKT2NUDT1KITADORA2AADORA1
SCHEMBL3857164 0.71 AKT2 (0.44) AKT2NUDT1KITADORA2AADORA1
SCHEMBL8906323 0.71 AKT2 (0.44) AKT2NUDT1KITADORA2AADORA1
SCHEMBL1095418 0.69 CYP1A2 (0.60) CYP1A2HIF1API4KAPI4K2BPI4K2A
SCHEMBL14322494 0.68 PDPK1 (0.38) PDPK1CYP1A2HIF1ACDK2HTT
SCHEMBL20420131 0.68 YTHDC1 (0.49) AKT2ADORA1PDPK1CSF1RCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112912378-B Hydrazinopurine compounds and triazolopurine compounds for inhibiting xanthine oxidase 泰拉强石株式会社 2023-09-12 — — CN disclosed
US-20050043268-A1 Inhibition of viruses MEDICAL RESEARCH COUNCIL (GB) 2005-02-24 — — 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-20050043268-A1 Inhibition of viruses RNASE1, HNRNPA1, RNASEH1 AKT2 4059/4885NUDT1 277/4885GSK3B 4290/4885

“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.

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