SCHEMBL18234088

SCHEMBL18234088

COC(=O)c1cc(/C=N\O)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NQO2 P16083 5/20 0.38
▸ NOTUM Q6P988 2/20 0.37
▸ SYK P43405 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL16845587 1.00 KDM4E (0.48) KDM4EL3MBTL1ALOX15NQO2NOTUM
SCHEMBL16845583 0.83 NQO2 (0.40) KDM4ENQO2NOTUMSYKLMNA
SCHEMBL16870491 0.81 NQO2 (0.41) KDM4ENQO2NOTUMSYKLMNA
SCHEMBL112719 0.75 KDM4E (0.45) KDM4ENQO2NOTUMSYKLMNA
SCHEMBL30307699 0.75 KDM4E (0.45) KDM4ENQO2NOTUMSYKLMNA
SCHEMBL16398495 0.74 NQO2 (0.35) NQO2SYKLMNAALDH1A1MAPK1
SCHEMBL24046189 0.74 NQO2 (0.43) KDM4ENQO2NOTUMSYKLMNA
SCHEMBL2706709 0.74 LMNA (0.47) KDM4EL3MBTL1ALOX15NQO2LMNA
SCHEMBL350485 0.74 ALDH1A1 (0.54) KDM4ENQO2LMNAALDH1A1MAPK1
SCHEMBL10198533 0.74 LMNA (0.47) KDM4ENQO2NOTUMSYKLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745287-B2 Pyrimidines and use thereof PURDUE PHARMA L.P. (US) 2017-08-29 — — US disclosed
US-20160332992-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2016-11-17 — — 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-20160332992-A1 PYRIMIDINES AND USE THEREOF ADORA2B, P2RX2, P2RX3 KDM4E 3153/4885L3MBTL1 1036/4885ALOX15 2071/4885

“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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