Sugi Predict

Sugi Predict / Compounds / SCHEMBL67060

SCHEMBL67060

SCHEMBL67060

CC1CN(c2ccc(N)cn2)CC(C)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.51
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ AOC3 Q16853 3/20 0.44
▸ MAP3K12 Q12852 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PIK3CA P42336 3/20 0.41
▸ BTK Q06187 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ADRA1A P35348 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40

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
SCHEMBL3123098 1.00 KMT2A (0.51) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29498462 1.00 KMT2A (0.51) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2744990 0.81 NR3C2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12235930 0.81 NR3C2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12235349 0.81 NR3C2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29992664 0.81 CNR2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20476215 0.81 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29992281 0.81 CNR2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24018507 0.81 KMT2A (0.53) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31182223 0.81 KMT2A (0.53) KMT2AGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017163258-A1 PROCESS FOR THE PREPARATION OF N-[6-(CIS-2,6-DIMETHYLMORPHOLIN-4-YL)PYRIDINE-3-YL]-2- METHYL-4'-(TRIFIUOROMETHOXY) [1,1' -BIPHENYI]-3-CARBOXAMIDE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2017-09-28 — — WO claimed
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-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-06-02 — — US disclosed
US-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-06-02 — — 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 (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-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 KMT2A 1709/4885GRIN2D 880/4885GRIN3B 1837/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO KMT2A 1200/4885GRIN2D 1945/4885GRIN3B 1227/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO KMT2A 1200/4885GRIN2D 1945/4885GRIN3B 1227/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KMT2A 929/4885GRIN2D 2204/4885GRIN3B 1726/4885
US-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, WNT1 KMT2A 2423/4885GRIN2D 4470/4885GRIN3B 4268/4885

“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.