Sugi Predict

Sugi Predict / Compounds / SCHEMBL1922080

SCHEMBL1922080

SCHEMBL1922080

Cc1ccc(N2C(=O)c3ccccc3C2=O)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ STAT3 P40763 1/20 0.56
▸ STAT1 P42224 1/20 0.56
▸ GRM1 Q13255 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ AR P10275 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ PGR P06401 1/20 0.43
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43

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
SCHEMBL14357446 0.86 NPC1 (0.49) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL11465311 0.83 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL11486089 0.79 LMNA (0.56) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL11584879 0.79 NPC1 (0.68) SMN1; SMN2NPC1GRM1ALDH1A1GAA
SCHEMBL11835513 0.78 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL10257900 0.78 GRM1 (0.43) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL3675238 0.77 MEN1 (0.53) SMN1; SMN2NPC1GRM1ALDH1A1GAA
SCHEMBL11706396 0.77 CYP1A2 (0.42) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL12509556 0.76 KCNJ1 (0.46) SMN1; SMN2NPC1GRM1ALDH1A1GAA
SCHEMBL30817653 0.75 ALDH1A1 (0.73) SMN1; SMN2NPC1PKMALDH1A1GAA

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756782-A Preparation method of arbeli intermediate 5- [ (4-ethylpiperazine-1-yl) methyl ] pyridin-2-amine 江苏希迪制药有限公司 2024-03-26 — — CN claimed
CN-117720459-A Preparation process of arbeli intermediate 5- [ (4-ethylpiperazine-1-yl) methyl ] pyridin-2-amine 江苏希迪制药有限公司 2024-03-19 — — CN claimed
CN-117756782-A Preparation method of arbeli intermediate 5- [ (4-ethylpiperazine-1-yl) methyl ] pyridin-2-amine 江苏希迪制药有限公司 2024-03-26 — — CN disclosed
CN-117720459-A Preparation process of arbeli intermediate 5- [ (4-ethylpiperazine-1-yl) methyl ] pyridin-2-amine 江苏希迪制药有限公司 2024-03-19 — — CN disclosed
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 — — EP disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 — — US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 — — US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 — — US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 — — US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 — — US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 — — US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 — — US disclosed
US-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 — — US disclosed
US-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 — — US disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 — — US disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 — — US disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 — — US disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 — — US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 — — WO disclosed
WO-2005095391-A1 THIAZOLIUMS AS TRANSKETOLASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-10-13 — — 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 (3 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-20130296333-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SMN1; SMN2 3060/4885NPC1 988/4885RAB9A 597/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 SMN1; SMN2 4421/4885NPC1 455/4885RAB9A 3129/4885
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT SMN1; SMN2 4359/4885NPC1 402/4885RAB9A 2542/4885

“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.