SCHEMBL4520816

SCHEMBL4520816

[NH]C(=O)c1ncnc2nc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 2/20 0.48
▸ PI4K2B Q8TCG2 2/20 0.48
▸ PI4K2A Q9BTU6 2/20 0.48
▸ PI4KB Q9UBF8 2/20 0.48
▸ LRRK2 Q5S007 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ XDH P47989 1/20 0.48
▸ G6PD P11413 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ PDPK1 O15530 2/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44

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
SCHEMBL2843842 0.83 TOP2A (0.51) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL1749123 0.81 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL5241436 0.81 TSHR (0.54) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL2399636 0.79 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL31456991 0.77 MKNK1 (0.57) LRRK2LMNATSHRPDPK1CHEK1
SCHEMBL30484606 0.77 TSHR (0.50) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL28864069 0.77 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL4520813 0.70 PARP1 (0.34) HSD17B10MKNK1
Adenine SCHEMBL9621210 0.70 PI4KA (0.81) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL275945 0.70 LMNA (0.57) PI4KAPI4K2BPI4K2API4KBLRRK2

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
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 — — US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 — — EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 — — 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 PI4KA 481/4885PI4K2B 727/4885PI4K2A 849/4885

“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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