SCHEMBL14213489

SCHEMBL14213489

CCOC(C)COc1cc(C)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ACHE P22303 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 5/20 0.33
LMNA P02545 5/20 0.33
MAPT P10636 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
GAA P10253 3/20 0.33
POLB P06746 2/20 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
SCHEMBL2608841 0.81 TSHR (0.42) NUDT1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL13012202 0.79 SMN1; SMN2 (0.50) NUDT1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL18480437 0.73 CDK1 (0.35) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL13256151 0.72 CYP1A2 (0.42) NUDT1TSHRKMT2ALMNAMAPT
SCHEMBL13064187 0.72 MAPT (0.53) NUDT1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL13020442 0.70 NUDT1 (0.69) NUDT1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL1421836 0.68 SMN1; SMN2 (0.42) ALDH1A1TP53SMN1; SMN2LMNAMAPT
SCHEMBL19890949 0.68 MAPT (0.48) NUDT1ALDH1A1TSHRSMN1; SMN2KMT2A
Propane SCHEMBL10851739 0.68 SMN1; SMN2 (0.41) NUDT1ALDH1A1TSHRTP53CYP3A4
Propane SCHEMBL10852102 0.68 SMN1; SMN2 (0.41) NUDT1ALDH1A1TSHRTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 NUDT1 1037/4885CDK1 164/4885CCNB1 1503/4885

“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.