SCHEMBL1859259

SCHEMBL1859259

CCc1cc(C#N)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
RAD51 Q06609 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
PGR P06401 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29952696 1.00 CYP2A6 (0.44) CYP2A6RAD51EGLN2ABCC9ABCC8
SCHEMBL7398707 0.85 TSHR (0.40) CYP2A6RAD51MEN1KMT2A
SCHEMBL13913074 0.84 RAD51 (0.39) CYP2A6RAD51ABCC9ABCC8KCNJ11
SCHEMBL7887017 0.81 HPGD (0.40) CYP2A6RAD51EGLN2ABCC9ABCC8
SCHEMBL7887020 0.81 HPGD (0.40) CYP2A6RAD51EGLN2ABCC9ABCC8
SCHEMBL24025456 0.79 SRC (0.35) RAD51ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL13824727 0.78 CYP2A6 (0.52) CYP2A6EGLN2ABCC9ABCC8KCNJ11
SCHEMBL2463003 0.77 DYRK1A (0.38) CYP2A6RAD51EGLN2ABCC9ABCC8
SCHEMBL11306935 0.77 EGFR (0.41) RAD51ALDH1A1KDM4EMEN1GAA
SCHEMBL2460307 0.77 ALDH1A1 (0.43) CYP2A6RAD51ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164050-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
EP-3272736-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2018-01-24 EP disclosed
EP-3138835-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2017-03-08 EP disclosed
EP-2514743-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2016-12-14 EP disclosed
EP-1633336-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2016-06-22 EP disclosed
US-9051316-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridine amides and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-9051316-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridine amides and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-9051316-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridine amides and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
EP-2132206-B1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-04-01 EP disclosed
EP-2132206-B1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-04-01 EP disclosed
WO-2008104306-A2 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO disclosed
WO-2008104306-A2 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO disclosed
WO-2007140934-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP disclosed
US-20050014728-A1 Immunosuppressant compounds and compositions IRM LLC 2005-01-20 US disclosed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO disclosed
EP-1151990-A1 Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-07 EP disclosed
EP-0934257-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-11 EP disclosed
US-5780505-A ADMINISTERING AS SMOOTH MUSCLE RELAXANT AMERICAN HOME PRODUCTS CORPORATION (US) 1998-07-14 US disclosed
WO-1998002413-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-22 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 (1 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-20050014728-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 CYP2A6 1031/4885RAD51 4858/4885EGLN2 2775/4885

“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.