SCHEMBL1694063

SCHEMBL1694063

CC1(C)CC(=NO)c2cccnc2O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.40
HTT P42858 1/20 0.36
PDK2 Q15119 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR3A P46098 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL1694060 1.00 RAD52 (0.40) RAD52HTTPDK2CCNA2CDK2
SCHEMBL1694045 0.76 CNR1 (0.44) KMT2ACNR1CNR2
SCHEMBL6559899 0.74 RAD52 (0.59) RAD52HTTCYP1A2CYP2C19KMT2A
SCHEMBL6559902 0.74 RAD52 (0.59) RAD52HTTCYP1A2CYP2C19KMT2A
SCHEMBL31278683 0.72 HPGD (0.33) RAD52HTTPDK2CYP1A2CYP2C19
SCHEMBL24388774 0.72 CHRNB2 (0.48) HTTKMT2AALOX15CHRNB2CHRNA7
SCHEMBL18572727 0.71 CCNC (0.40) RAD52HTT
SCHEMBL18572987 0.70 CCNC (0.38) RAD52HTT
SCHEMBL23175233 0.68 KDM4E (0.44) CYP1A2CYP2C19KMT2AALOX15
SCHEMBL18572726 0.65 CCNC (0.40) RAD52HTTKMT2AALOX15

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
EP-2582703-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-04-24 EP disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 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-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 RAD52 3309/4885HTT 3586/4885PDK2 340/4885

“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.