SCHEMBL6531092

SCHEMBL6531092

CC(C)(C)OC(=O)N1CCN(C(=O)C2CCOCC2)C(C(=O)O)C1.O=C(Cl)C1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
CNR2 P34972 1/20 0.38
USP30 Q70CQ3 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
PIK3CD O00329 1/20 0.36
MCL1 Q07820 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL4371746 0.94 RECQL (0.54) RECQLUSP2SMN1; SMN2HSD17B10HPGD
SCHEMBL31204 0.86 HSD17B10 (0.49) RECQLUSP2SMN1; SMN2HSD17B10HPGD
SCHEMBL4038363 0.80 RECQL (0.49) RECQLUSP2SMN1; SMN2HSD17B10HPGD
SCHEMBL2364954 0.77 HSD17B10 (0.51) USP2SMN1; SMN2HSD17B10HPGDGPR119
SCHEMBL22227 0.77 HSD17B10 (0.51) USP2SMN1; SMN2HSD17B10HPGDGPR119
SCHEMBL18027 0.77 HSD17B10 (0.51) USP2SMN1; SMN2HSD17B10HPGDGPR119
SCHEMBL20051384 0.74 HSD17B10 (0.43) USP2SMN1; SMN2HSD17B10HPGDUSP30
SCHEMBL31483 0.74 HPGD (0.47) RECQLHSD17B10HPGDMAPTMEN1
SCHEMBL14841356 0.74 HPGD (0.47) RECQLUSP2SMN1; SMN2HSD17B10HPGD
SCHEMBL27671652 0.73 HSD17B10 (0.42) USP2SMN1; SMN2HSD17B10HPGDUSP30

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-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS RECQL 4053/4885USP2 3538/4885SMN1; SMN2 4434/4885

“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.