SCHEMBL4058565

SCHEMBL4058565

CSc1nc([NH])cc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.42
HSP90AA1 P07900 2/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSP90AB1 P08238 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL62021 0.84 POLB (0.53) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL1902046 0.76 POLB (0.47) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL3110403 0.74 KMT2A (0.51) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL19805989 0.74 POLB (0.46) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL29368005 0.74 KMT2A (0.49) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL191585 0.74 KMT2A (0.49) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL12105468 0.74 POLB (0.46) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL5750658 0.72 POLB (0.45) POLBKMT2AMEN1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL11426179 0.72 KMT2A (0.47) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL10845926 0.72 POLB (0.49) POLBKMT2AMEN1GAASMN1; SMN2

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-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US disclosed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES POLB 1417/4885KMT2A 2390/4885MEN1 4566/4885

“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.