SCHEMBL1892277

SCHEMBL1892277

O=C(c1cc[nH]c1)N1CCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
ALDH1A1 P00352 5/20 0.53
EPHX2 P34913 2/20 0.47
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.44
MLYCD O95822 1/20 0.43
USP2 O75604 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8021587 0.96 HPGD (0.59) HPGDALDH1A1EPHX2KMT2AMEN1
SCHEMBL8029191 0.94 HPGD (0.62) HPGDALDH1A1EPHX2KMT2AMEN1
SCHEMBL27468382 0.85 POLB (0.57) HPGDEPHX2KMT2APOLBMEN1
SCHEMBL17665119 0.77 EPHX2 (0.48) HPGDEPHX2KMT2APOLBMEN1
SCHEMBL31405620 0.76 KMT2A (0.58) ALDH1A1EPHX2KMT2APOLBSMN1; SMN2
SCHEMBL5160787 0.73 HPGD (0.41) HPGDALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL10721733 0.72 HPGD (0.95) HPGDALDH1A1KMT2AMEN1LMNA
SCHEMBL1263133 0.71 HPGD (0.88) HPGDALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL30165131 0.70 SLC6A7 (0.54) ALDH1A1EPHX2KMT2ASMN1; SMN2MEN1
SCHEMBL7239248 0.70 HPGD (0.60) HPGDALDH1A1KMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 HPGD 3098/4885ALDH1A1 4339/4885EPHX2 3730/4885

“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.