Sugi Predict

Sugi Predict / Compounds / SCHEMBL2744990

SCHEMBL2744990

SCHEMBL2744990

CC1CN(c2ccc(N)cn2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.45
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ SYK P43405 1/20 0.42
▸ MAP3K7 O43318 2/20 0.41
▸ MAP3K12 Q12852 1/20 0.40
▸ LRRK2 Q5S007 6/20 0.40
▸ FGFR2 P21802 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ FFAR2 O15552 1/20 0.39
▸ OGA O60502 1/20 0.39
▸ GAK O14976 3/20 0.39

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
SCHEMBL12235930 1.00 NR3C2 (0.45) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12235349 1.00 NR3C2 (0.45) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25567554 0.88 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14376036 0.85 NR3C2 (0.47) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28334258 0.82 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21588286 0.82 AKR1C3 (0.46) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21588462 0.82 AKR1C3 (0.46) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21588456 0.82 AKR1C3 (0.46) NR3C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12802147 0.82 WNT3A (0.43) NR3C2SYKMAP3K7LRRK2FGFR2
SCHEMBL67060 0.81 KMT2A (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 — — EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 — — US claimed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 — — US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 — — US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US claimed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 — — CN claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 — — WO claimed
CN-102746285-B Compounds and compositions as HEDGEHOG pathway modulators 太阳制药国际公司 2022-01-14 — — CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US disclosed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 — — CN disclosed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 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 (6 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-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 NR3C2 3737/4885GRIN2D 880/4885GRIN3B 1837/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NR3C2 1885/4885GRIN2D 2046/4885GRIN3B 1622/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO NR3C2 3926/4885GRIN2D 1945/4885GRIN3B 1227/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO NR3C2 3926/4885GRIN2D 1945/4885GRIN3B 1227/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NR3C2 2135/4885GRIN2D 2204/4885GRIN3B 1726/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NR3C2 2135/4885GRIN2D 2204/4885GRIN3B 1726/4885

“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.