Sugi Predict

Sugi Predict / Compounds / SCHEMBL2275905

SCHEMBL2275905

SCHEMBL2275905

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ HTR3E A5X5Y0 2/20 0.40
▸ HTR3B O95264 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ HTR3D Q70Z44 2/20 0.40
▸ HTR3C Q8WXA8 2/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TNNI3 P19429 1/20 0.37
▸ TNNT2 P45379 1/20 0.37
▸ TNNC1 P63316 1/20 0.37
▸ LPL P06858 4/20 0.36
▸ LIPG Q9Y5X9 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 2/20 0.35

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
SCHEMBL2802127 0.89 DRD2 (0.49) ALDH1A1CSF1RMEN1KMT2ADRD2
SCHEMBL27422409 0.86 CSF1R (0.37) MAPTALDH1A1CSF1RHTR3EHTR3B
SCHEMBL30988471 0.80 LPL (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ALPL
SCHEMBL14243487 0.80 LPL (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ALPL
SCHEMBL32689811 0.78 PRKDC (0.40) MAPTALDH1A1CSF1RALDH1A3DRD2
SCHEMBL2798649 0.78 DRD2 (0.49) MAPTALDH1A1CSF1RALDH1A3L3MBTL1
SCHEMBL17290053 0.78 PRKDC (0.40) MAPTALDH1A1CSF1RALDH1A3DRD2
SCHEMBL14758377 0.78 ALDH1A1 (0.45) MAPTALDH1A1ALDH1A3SMN1; SMN2MEN1
SCHEMBL2274504 0.78 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL17427861 0.77 KDM4E (0.54) MAPTALDH1A1MEN1KMT2AL3MBTL1

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 9 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

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 MAPT 3747/4885ALDH1A1 4082/4885CSF1R 259/4885

“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.