SCHEMBL17060283

SCHEMBL17060283

NCc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.61
▸ GDA Q9Y2T3 1/20 0.61
▸ PI4KA P42356 2/20 0.48
▸ PI4K2B Q8TCG2 2/20 0.48
▸ PI4K2A Q9BTU6 2/20 0.48
▸ PI4KB Q9UBF8 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ XDH P47989 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.48
▸ CDK2 P24941 6/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ PNP P00491 1/20 0.43
▸ POLA1 P09884 2/20 0.41
▸ MAP3K5 Q99683 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ CDK1 P06493 5/20 0.41
▸ CCNB1 P14635 5/20 0.41
▸ CCNA2 P20248 5/20 0.41

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
SCHEMBL11222102 0.87 PDPK1 (0.63) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL6379588 0.86 PDPK1 (0.58) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL1924592 0.84 PDPK1 (0.59) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29592683 0.84 PDPK1 (0.59) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL9176120 0.84 PDPK1 (0.59) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL67130 0.83 PDPK1 (0.54) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29605437 0.83 PDPK1 (0.54) PDPK1GDAPI4KAPI4K2BPI4K2A
Water SCHEMBL28083708 0.82 PDPK1 (0.58) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL6267288 0.81 PDPK1 (0.56) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29620672 0.81 PDPK1 (0.56) PDPK1GDAPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725474-B2 Modified nucleic acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-08 — — US claimed
EP-2915815-B1 NEW MODIFIED NUCLEIC ACID TAKEDA PHARMACEUTICALS CO (JP) 2018-01-17 — — EP disclosed
US-9725474-B2 Modified nucleic acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-08 — — US disclosed
US-20160016983-A1 New Modified Nucleic Acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-21 — — US disclosed
EP-2915815-A1 NEW MODIFIED NUCLEIC ACID Takeda Pharmaceutical Company Limited (JP) 2015-09-09 — — 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 (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-20160016983-A1 New Modified Nucleic Acid RNGTT, RNASEH1, RNASE1 PDPK1 4669/4885GDA 165/4885PI4KA 3885/4885

“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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