SCHEMBL2158959

SCHEMBL2158959

CCCCCCc1ccc(Nc2nc(N)c3ncn(C4CC(O)C(CCP(=O)(O)O)O4)c3n2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.43
NT5E P21589 1/20 0.43
PNP P00491 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3A Q14432 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADORA2A P29274 2/20 0.38
CYP1A2 P05177 2/20 0.38
ADORA2B P29275 1/20 0.38
THPO P40225 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
BLM P54132 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
SCHEMBL12396112 0.90 POLA1 (0.43) POLA1NT5EPNPLMNATP53
SCHEMBL12396110 0.90 PNP (0.52) POLA1PNPLMNATP53HTT
SCHEMBL2159905 0.90 PNP (0.52) POLA1PNPLMNATP53HTT
SCHEMBL2159884 0.90 PNP (0.52) POLA1PNPLMNATP53HTT
SCHEMBL4945604 0.81 NT5E (0.44) POLA1NT5EPNPLMNATP53
SCHEMBL31650831 0.74 POLA1 (0.54) POLA1NT5EP2RX3POLB
SCHEMBL2160243 0.73 FGFR1 (0.47) POLA1ADORA2AADORA2BCYP2D6POLB
SCHEMBL4948967 0.72 CYP1A2 (0.49) NT5EPNPLMNATP53HTT
SCHEMBL4948978 0.72 CYP1A2 (0.49) NT5EPNPLMNATP53HTT
SCHEMBL12396113 0.69 TMIGD3 (0.41) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110182973-A1 POLYMERASE INHIBITORS AND THE USE THEREOF FOR THE TREATMENT OF TUMORS FREIE UNIVERSITAET BERLIN (DE) 2011-07-28 US claimed
EP-1990054-A1 Polymerase inhibitors and their use in treating tumours Freie Universität Berlin (DE) 2008-11-12 EP claimed
US-20110182973-A1 POLYMERASE INHIBITORS AND THE USE THEREOF FOR THE TREATMENT OF TUMORS FREIE UNIVERSITAET BERLIN (DE) 2011-07-28 US disclosed
EP-1990054-A1 Polymerase inhibitors and their use in treating tumours Freie Universität Berlin (DE) 2008-11-12 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-20110182973-A1 POLYMERASE INHIBITORS AND THE USE THEREOF FOR THE TREATMENT OF TUMORS POLH, POLI, POLK POLA1 8/4885NT5E 2917/4885PNP 448/4885

“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.