SCHEMBL5860314

SCHEMBL5860314

O=C(Nc1n[c]nc2nc[nH]c12)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
BRD4 O60885 1/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
ROCK2 O75116 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
MGLL Q99685 1/20 0.41
LMNA P02545 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL6753015 0.83 BRD4 (0.62) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL18941364 0.82 POLB (0.46) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL17260474 0.79 MAPT (0.34) POLBMAPTCYP1A2CYP2D6TSHR
SCHEMBL7264355 0.78 BRD4 (0.67) HTTBRD4
SCHEMBL17260458 0.74 SYK (0.47) NPC1RAB9ATP53BRD4CYP1A2
SCHEMBL9435393 0.74 PIN1 (0.58) POLBCDC7DBF4CYP1A2CYP2D6
SCHEMBL8583453 0.74 GDA (0.57) ROCK2
SCHEMBL5841120 0.73 TP53 (0.49) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL6753016 0.72 POLB (0.48) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL13667382 0.71 POLB (0.50) POLBNPC1RAB9AMEN1KMT2A

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
EP-3143038-B1 PEPTIDE-NUCLEIC ACID-MONOMERS AND -OLIGOMERS UGISENSE AG (DE) 2018-08-01 EP claimed
US-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS UGISENSE AG (DE) 2017-06-15 US claimed
US-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS UGISENSE AG (DE) 2017-06-15 US disclosed
US-7105648-B1 Oligomers substituted by phosphite acid ester, phosphonic acid or carbaborane functions and the corresponding PNA monomers UGICHEM GMBH (AU) 2006-09-12 US disclosed
EP-1157031-B1 OLIGOMERS SUBSTITUTED BY PHOSPHONIC ACID ESTER, PHOSPHONIC ACID OR CARBABORANE FUNCTIONS AND THE CORRESPONDING PNA MONOMERS UGICHEM GMBH (AT) 2003-12-17 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-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS DTYMK, POLM, PNKP POLB 65/4885NPC1 3937/4885RAB9A 3602/4885

“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.