SCHEMBL696731

SCHEMBL696731

Sc1ccc(-n2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ ENPP2 Q13822 1/20 0.64
▸ MKNK1 Q9BUB5 1/20 0.64
▸ MKNK2 Q9HBH9 1/20 0.64
▸ NOTUM Q6P988 1/20 0.64
▸ CYP3A4 P08684 4/20 0.63
▸ MEN1 O00255 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ BAZ2B Q9UIF8 1/20 0.55
▸ CYP51A1 Q16850 1/20 0.53
▸ CYP2A6 P11509 1/20 0.52
▸ CYP19A1 P11511 3/20 0.52
▸ CYP11B1 P15538 1/20 0.52
▸ CYP11B2 P19099 1/20 0.52
▸ ADH5 P11766 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50

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
SCHEMBL2532397 0.89 LMNA (0.78) LMNAMAPTENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL28701756 0.86 LMNA (0.75) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL2234254 0.83 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL2533488 0.82 TSHR (0.84) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL13315310 0.80 ROCK1 (0.57) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL3250899 0.79 CYP3A4 (0.71) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL255950 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL8108194 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL872661 0.78 NOTUM (1.00) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL159406 0.78 LMNA (1.00) LMNAMAPTENPP2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954221-B2 GLP-1R agonists and uses thereof QILU REGOR THERAPEUTICS INC. (CN) 2021-03-23 — — US disclosed
US-20200325121-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2020-10-15 — — US disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 — — US disclosed
WO-2014086712-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 — — WO disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 — — EP disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 — — US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 — — US disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 — — US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 — — EP disclosed
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 — — EP disclosed
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 — — US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 — — US disclosed
CN-100378094-C Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2008-04-02 — — CN disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — US disclosed
US-20060247228-A1 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2006-11-02 — — US disclosed
EP-1650206-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS, AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2006-04-26 — — EP disclosed
CN-1747951-A Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2006-03-15 — — CN disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 — — EP disclosed
US-4006243-A FUNGICIDE, BACTERICIDE, YEAST SCHERING AKTIENGESELLSCHAFT (DT) 1977-02-01 — — US 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-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NOX1, CBR1, AOX1 LMNA 3709/4885MAPT 2329/4885ENPP2 4829/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LMNA 4727/4885MAPT 4596/4885ENPP2 1848/4885
US-20060247228-A1 Phenylazole compounds production process and antioxidants CBR1, CBR3, NOX3 LMNA 3650/4885MAPT 2754/4885ENPP2 4759/4885
US-10954221-B2 GLP-1R agonists and uses thereof GLP1R, GPR119, GIPR LMNA 919/4885MAPT 4018/4885ENPP2 439/4885
US-20200325121-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR LMNA 919/4885MAPT 4018/4885ENPP2 439/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 LMNA 4724/4885MAPT 4612/4885ENPP2 1840/4885

“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.

Send feedback