Sugi Predict

Sugi Predict / Compounds / SCHEMBL2937192

SCHEMBL2937192

SCHEMBL2937192

N#CC(C#N)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ KCNA5 P22460 5/20 0.42
▸ KCNE1 P15382 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ METAP1 P53582 1/20 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
SCHEMBL5429300 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL702161 0.78 SMN1; SMN2 (0.49) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL22275828 0.78 SMN1; SMN2 (0.49) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL3628303 0.78 SMN1; SMN2 (0.49) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL29700907 0.78 SMN1; SMN2 (0.49) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL5581899 0.78 SMN1; SMN2 (0.49) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL5032376 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL7477684 0.78 TRPA1 (0.48) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
Bromide SCHEMBL6754281 0.77 SMN1; SMN2 (0.44) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL637183 0.75 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471776-A1 Pyridin-2-ylpropandinitriles and their use as herbicides Bayer CropScience AG (DE) 2012-07-04 — — EP claimed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
EP-2471776-A1 Pyridin-2-ylpropandinitriles and their use as herbicides Bayer CropScience AG (DE) 2012-07-04 — — EP disclosed
EP-2471776-A1 Pyridin-2-ylpropandinitriles and their use as herbicides Bayer CropScience AG (DE) 2012-07-04 — — EP disclosed
EP-1812440-A1 PYRAZOLOÝ1,5-a¨PYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals, Inc. (US) 2007-08-01 — — EP disclosed
US-20070072001-A1 Luminescent device CANON KABUSHIKI KAISHA (JP) 2007-03-29 — — US disclosed
US-20070072001-A1 Luminescent device CANON KABUSHIKI KAISHA (JP) 2007-03-29 — — US disclosed
US-20060135537-A1 Pyrazolo[1,5-a]pyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-06-22 — — US disclosed
WO-2006052913-A1 PYRAZOLO[1,5-a]PYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-18 — — WO disclosed
US-4988712-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-01-29 — — US disclosed
US-4882344-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-11-21 — — US disclosed
US-4803277-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-02-07 — — US disclosed
US-4801590-A ANGINA, ANTICANCER, CARDIOVASCULAR DISORDERS, HEADACHES, PSORIASIS, ASTHMA, ANTICOAGULANTS BEIERSDORF AG (DE) 1989-01-31 — — US disclosed
EP-0253171-A1 Pyrido[1,8]naphthyridinones, process for their preparation and their use and compositions containing them Beiersdorf-Lilly GmbH (DE) 1988-01-20 — — EP 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 SLC6A2 4842/4885SLC6A4 4752/4885SLC6A3 4686/4885
US-20060135537-A1 Pyrazolo[1,5-a]pyrimidines useful as inhibitors of protein kinases MAP3K5, MAP3K20, MAP3K1 SLC6A2 4778/4885SLC6A4 4689/4885SLC6A3 4761/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 SLC6A2 4842/4885SLC6A4 4752/4885SLC6A3 4686/4885

“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.