Sugi Predict

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SCHEMBL2279408

SCHEMBL2279408

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ALDH1A1 P00352 9/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 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
SCHEMBL28758896 0.83 MEN1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1814092 0.82 KDM4E (0.44) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL730949 0.79 KDM4E (0.53) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL3510581 0.78 KDM4E (0.55) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL2277754 0.78 ADRB1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL14158883 0.77 LPL (0.41) NPC1RAB9AKDM4ENPSR1ALDH1A1
SCHEMBL3622568 0.77 LPL (0.41) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL30545643 0.77 CNR2 (0.42) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL2032625 0.77 CA1 (0.56) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL30242746 0.77 CA1 (0.56) KDM4EALDH1A1KMT2AMEN1GAA

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 NPC1 4818/4885RAB9A 2723/4885KDM4E 581/4885

“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.