Sugi Predict

Sugi Predict / Compounds / SCHEMBL1601556

SCHEMBL1601556

SCHEMBL1601556

O=C(NC1CCCCC1)c1c[c]ccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.56
▸ NPC1 O15118 9/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ GFER P55789 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HTR2B P41595 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KDM1A O60341 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48

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
SCHEMBL161742 0.98 L3MBTL1 (0.55) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL20797095 0.95 L3MBTL1 (0.51) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL2236358 0.92 NPC1 (0.51) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL14911306 0.80 NPC1 (0.65) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL8591829 0.80 NPC1 (0.56) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1600254 0.80 NPC1 (0.46) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL24673320 0.80 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL307051 0.80 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL23594174 0.80 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL8396558 0.80 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003409-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-04-25 — — CN disclosed
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 — — CN disclosed
CN-115583947-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-10 — — CN disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 — — US disclosed
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 — — EP disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
CN-107207493-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2017-09-26 — — CN disclosed
EP-3218375-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 — — EP disclosed
EP-3193603-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
WO-2016040498-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2016-03-17 — — WO disclosed
US-8080561-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2011-12-20 — — US disclosed
US-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2011-06-30 — — US disclosed
US-7919502-B2 Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors CEPHALON, INC. (US) 2011-04-05 — — US disclosed
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2010-02-25 — — US disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 — — US disclosed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 — — EP disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 — — US disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 — — 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 (5 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-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET RAB9A 3149/4885NPC1 2885/4885SMN1; SMN2 2336/4885
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET RAB9A 3149/4885NPC1 2885/4885SMN1; SMN2 2336/4885
US-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 RAB9A 1868/4885NPC1 1302/4885SMN1; SMN2 1340/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 RAB9A 1868/4885NPC1 1302/4885SMN1; SMN2 1340/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET RAB9A 3149/4885NPC1 2885/4885SMN1; SMN2 2336/4885

“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.