SCHEMBL12372517

SCHEMBL12372517

CC1(C)OB(c2ccc(C#N)c(N3CCCC3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
AR P10275 2/20 0.41
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
ESR2 Q92731 1/20 0.36
LPL P06858 4/20 0.36
LIPG Q9Y5X9 4/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
HTR7 P34969 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL459256 0.90 ALDH1A1 (0.48) ALDH1A1LMNAARMAPTHTT
SCHEMBL16935498 0.82 AR (0.39) LMNAARESR2GAAHTR7
SCHEMBL429388 0.80 GAA (0.39) ALDH1A1LMNAARMAPTHTT
SCHEMBL426180 0.80 MAPK1 (0.46) ALDH1A1LMNAMAPTHTTESR2
SCHEMBL16935474 0.80 USP30 (0.44) ALDH1A1LMNAMAPT
SCHEMBL30988471 0.79 LPL (0.44) ALDH1A1LPLLIPGKDM4EHPGD
SCHEMBL14243487 0.79 LPL (0.44) ALDH1A1LPLLIPGKDM4EHPGD
SCHEMBL12327209 0.78 LIPG (0.44) ESR2LPLLIPG
SCHEMBL14758377 0.77 ALDH1A1 (0.45) ALDH1A1LMNAMAPTHTTLPL
SCHEMBL3753301 0.77 ALDH1A1 (0.39) ALDH1A1LMNAARMAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 ALDH1A1 4082/4885LMNA 4842/4885AR 4691/4885

“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.