SCHEMBL2276958

SCHEMBL2276958

COC(=O)c1cc(Br)cc(N2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL730949 0.89 KDM4E (0.53) SMN1; SMN2RAB9ANPC1KDM4ENPSR1
SCHEMBL3510581 0.87 KDM4E (0.55) SMN1; SMN2RAB9ANPC1KDM4ENPSR1
SCHEMBL31705812 0.87 ALDH1A1 (0.50) NOTUMSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL19386236 0.85 NOTUM (0.44) NOTUMSMN1; SMN2RAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL3281305 0.83 DPP4 (0.43) NOTUMSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL730950 0.83 ALDH1A1 (0.53) SMN1; SMN2RAB9ANPC1KDM4ENPSR1
SCHEMBL23683956 0.82 GABRA1 (0.39) NOTUMSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL730837 0.81 KDM4E (0.50) SMN1; SMN2RAB9ANPC1KDM4ENPSR1
SCHEMBL4934652 0.80 LMNA (0.47) NOTUMSMN1; SMN2NPSR1ALDH1A1KMT2A
SCHEMBL5217876 0.80 MEN1 (0.50) NOTUMSMN1; SMN2RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
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-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP 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
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
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 NOTUM 4209/4885SMN1; SMN2 4777/4885RAB9A 2723/4885

“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.