SCHEMBL1374742

SCHEMBL1374742

NCCCCCc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.51
▸ GDA Q9Y2T3 1/20 0.51
▸ PI4KA P42356 2/20 0.45
▸ PI4K2B Q8TCG2 2/20 0.45
▸ PI4K2A Q9BTU6 2/20 0.45
▸ PI4KB Q9UBF8 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ XDH P47989 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ POLA1 P09884 1/20 0.41
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ HRH1 P35367 7/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ CCNA2 P20248 1/20 0.38

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
SCHEMBL38912 1.00 PDPK1 (0.51) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29808400 1.00 PDPK1 (0.51) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL67130 0.94 PDPK1 (0.54) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29605437 0.94 PDPK1 (0.54) PDPK1GDAPI4KAPI4K2BPI4K2A
Trifluoroacetic Acid SCHEMBL6509652 0.88 HRH4 (0.48) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL6379588 0.87 PDPK1 (0.58) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL30610405 0.87 CDK1 (0.53) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL725881 0.87 PDPK1 (0.50) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL11222102 0.85 PDPK1 (0.63) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL28299226 0.85 POLA1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 — — 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-20110288106-A1 ADENINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 PDPK1 1768/4885GDA 508/4885PI4KA 3268/4885

“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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