SCHEMBL2379199

SCHEMBL2379199

CCCC[Sn](CCCC)(CCCC)c1cn(-c2ccccc2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
BLM P54132 1/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
FGFR1 P11362 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HSD11B1 P28845 2/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 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
SCHEMBL3783755 0.76 HSD11B1 (0.31) HSD11B1TSHRNR1H3TLR8
SCHEMBL31555683 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14481327 0.72 CYP3A4 (0.42) ALDH1A1CYP1A2FGFR1DDB1CRBN
SCHEMBL1763174 0.72 NOTUM (0.44) ALDH1A1L3MBTL1
SCHEMBL19209862 0.71
Hydrochloric Acid SCHEMBL28226125 0.71 KCNH2 (0.47) HSD11B1TSHRCYP19A1TLR8LMNA
SCHEMBL1961906 0.70 MAPT (0.40) KDM4EHSD17B10TSHRCYP2C9GAA
SCHEMBL9854177 0.69 HRH3 (0.43) KDM4EALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL12247671 0.68 GRM5 (0.49) GRM5KDM4EALDH1A1CYP1A2HPGD
SCHEMBL246415 0.66 CCR1 (0.39) GRM5ALDH1A1HSD17B10TLR8GAA

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-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK GRM5 2789/4885KDM4E 563/4885ALDH1A1 4643/4885

“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.