SCHEMBL22872162

SCHEMBL22872162

Cc1cc(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)on1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
SLC2A1 P11166 1/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
SPR P35270 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C19 P33261 3/20 0.39
GAA P10253 2/20 0.39
DUSP10 Q9Y6W6 1/20 0.38
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37

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
SCHEMBL14090180 0.69 UBE2M (0.52) UBE2MDCUN1D1SLC2A1HPGDMEN1
SCHEMBL1509453 0.69 ALDH1A1 (0.55) UBE2MDCUN1D1SLC2A1HPGDMEN1
SCHEMBL1509545 0.68 UBE2M (0.51) UBE2MDCUN1D1SLC2A1HPGDMEN1
SCHEMBL6403162 0.66 POLB (0.54) HPGDMEN1KMT2AMAPK1CYP1A2
SCHEMBL17824733 0.65 ALDH1A1 (0.56) HPGDMEN1KMT2AMAPK1KDM4E
SCHEMBL18657527 0.62 UBE2M (1.00) UBE2MDCUN1D1SLC2A1MEN1KMT2A
SCHEMBL23077850 0.60 UBE2M (0.61) UBE2MDCUN1D1CYP3A4
SCHEMBL4204403 0.60 EPHX2 (0.57) MEN1KMT2AMAPK1CYP1A2NAMPT
SCHEMBL2856089 0.59 HPGD (1.00) HPGDMEN1KMT2AMAPK1EED
SCHEMBL14090174 0.59 ALDH1A1 (0.47) UBE2MDCUN1D1HPGDMEN1KMT2A

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
WO-2021007594-A1 IRE1 ACTIVATING COMPOUNDS FOR USE IN THERAPY THE SCRIPPS RESEARCH INSTITUTE (US) 2021-01-14 WO disclosed
US-20210008064-A1 IRE1 ACTIVATING COMPOUNDS FOR USE IN THERAPY THE SCRIPPS RESEARCH INSTITUTE 2021-01-14 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-20210008064-A1 IRE1 ACTIVATING COMPOUNDS FOR USE IN THERAPY XBP1, ATF4, HSPA5 UBE2M 3479/4885DCUN1D1 2690/4885SLC2A1 2363/4885

“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.