SCHEMBL12372521

SCHEMBL12372521

CC1(C)OB(c2cc(C#N)cc(N3CCCC3)c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.33
DRD3 P35462 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
ALK Q9UM73 2/20 0.32
ESR2 Q92731 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
P2RX7 Q99572 1/20 0.30
NSD2 O96028 1/20 0.30

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
SCHEMBL31125907 0.89 KDM4E (0.38) ALKSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL3758875 0.89 KDM4E (0.38) ALKSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL3753458 0.86 ALK (0.37) DRD2DRD3FFAR4ALKKDM4E
SCHEMBL3751064 0.84 LRRK2 (0.36) FFAR4KDM4EALDH1A1GAA
SCHEMBL2277332 0.84 EGLN2 (0.35) FFAR4SLC6A2SLC6A4SLC6A3NSD2
SCHEMBL3762977 0.84 FFAR4 (0.38) DRD2DRD3FFAR4
SCHEMBL7960738 0.80 ESR2 (0.41) ESR2LPLLIPGP2RX7
SCHEMBL3754452 0.79 EGLN2 (0.47) ALDH1A1
SCHEMBL14158883 0.78 LPL (0.41) KDM4EALDH1A1LPLLIPGP2RX7
SCHEMBL2277754 0.76 ADRB1 (0.43) ALDH1A1LPLLIPG

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 DRD2 3196/4885DRD3 3355/4885FFAR4 3869/4885

“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.