SCHEMBL12372418

SCHEMBL12372418

C=CCN(CC(C)(C)C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
ESR1 P03372 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX12 P18054 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
C5AR1 P21730 1/20 0.42
CNR2 P34972 2/20 0.40
MAPK1 P28482 1/20 0.40
ESR2 Q92731 1/20 0.39
CNR1 P21554 1/20 0.38
HSD11B1 P28845 2/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL2281838 0.89 RAB9A (0.45) RAB9AESR1KMT2AMEN1ALDH1A1
SCHEMBL12372411 0.86 RAB9A (0.45) RAB9AESR1KMT2AMEN1ALDH1A1
SCHEMBL12372417 0.85 C5AR1 (0.46) RAB9AESR1KMT2AMEN1ALDH1A1
SCHEMBL12401425 0.82 C5AR1 (0.43) RAB9AESR1KMT2AMEN1ALDH1A1
SCHEMBL4262910 0.80 ESR1 (0.53) RAB9AESR1KMT2AMEN1ALDH1A1
SCHEMBL5324937 0.78 RAB9A (0.63) RAB9AESR1KMT2AMEN1ALDH1A1
SCHEMBL11675019 0.77 LMNA (0.53) RAB9AESR1KMT2AMEN1ALDH1A1
SCHEMBL8780976 0.74 TDP1 (0.54) RAB9AESR1KMT2AMEN1ALDH1A1
SCHEMBL11095184 0.73 CNR2 (0.59) KMT2AMEN1MAPTCNR2CNR1
SCHEMBL25702589 0.72 RAB9A (0.51) RAB9AESR1KMT2AMEN1ALDH1A1

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
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

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 RAB9A 2723/4885ESR1 3574/4885KMT2A 1366/4885

“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.