SCHEMBL190720

SCHEMBL190720

[c]1ncc2c(n1)CCNC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PNMT P11086 6/20 0.36
CD44 P16070 2/20 0.36
MAOB P27338 1/20 0.36
HTR2C P28335 2/20 0.36
CYP3A4 P08684 1/20 0.34
ASIC3 Q9UHC3 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL1593106 0.85 HTR2C (0.41) PNMTCD44MAOBHTR2CASIC3
SCHEMBL1482248 0.82
SCHEMBL159386 0.71 CDK5 (0.33) ADRA2AADRA2BADRA2C
SCHEMBL558013 0.71
SCHEMBL4148663 0.69 CDK5 (0.32)
SCHEMBL611712 0.69 PNMT (0.41) PNMTCD44MAOBHTR2CCYP3A4
SCHEMBL21591624 0.67 PNMT (0.42) PNMTCD44MAOBASIC3ADRA2A
SCHEMBL21591683 0.67 PNMT (0.42) PNMTCD44MAOBASIC3ADRA2A
SCHEMBL160968 0.67 POLB (0.43) POLBSMN1; SMN2PNMTCD44MAOB
SCHEMBL29772412 0.67 POLB (0.43) POLBSMN1; SMN2PNMTCD44MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US claimed
WO-2023081809-A1 TRANS-CYCLOOCTENE-MODIFIED BISPECIFIC ANTIBODIES TAMBO, INC. (US) 2023-05-11 WO claimed
WO-2023077129-A1 TETRAZINE CONJUGATES FOR IN VIVO TARGETED DELIVERY OF A PAYLOAD TAMBO, INC. (US) 2023-05-04 WO claimed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US claimed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP claimed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN claimed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO claimed
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US claimed
EP-2817310-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4]TRIAZOLO [1, 5 -A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS Merck Patent GmbH (DE) 2014-12-31 EP claimed
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-08-14 US claimed
EP-1337271-A2 COMBINATION OF GABA AGONISTS AND SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2003-08-27 EP claimed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 US claimed
EP-1326591-A2 COMBINATION OF STATINS AND SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2003-07-16 EP claimed
US-6544998-B2 For treatment of suffering from diabetic complications like diabetic neuropathy, nephropathy, cardiomyopathy, retinopathy, microangiopathy, macroangiopathy, cataracts and foot ulcers. PFIZER INC 2003-04-08 US claimed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US claimed
US-20020091128-A1 Combination of gaba agonists and sorbitol dehydrogenase inhibitors MYLARI BANAVARA L (US) 2002-07-11 US claimed
WO-2002043762-A2 COMBINATION OF GABA AGONISTS AND SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-06-06 WO claimed
WO-2002032411-A2 COMBINATION OF STATINS AND SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-04-25 WO claimed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP claimed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 WO claimed

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-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS TBK1, NFKBIA, IKBKG POLB 1155/4885SMN1; SMN2 2989/4885PNMT 3664/4885
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 POLB 1966/4885SMN1; SMN2 2573/4885PNMT 4266/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 POLB 2491/4885SMN1; SMN2 2864/4885PNMT 4607/4885
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS SYK, EIF2AK4, BTK POLB 3864/4885SMN1; SMN2 4392/4885PNMT 3373/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 POLB 4044/4885SMN1; SMN2 539/4885PNMT 2759/4885
US-20020091128-A1 Combination of gaba agonists and sorbitol dehydrogenase inhibitors SORD, GABRE, SLC6A1 POLB 2830/4885SMN1; SMN2 295/4885PNMT 3830/4885

“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.