SCHEMBL7862710

SCHEMBL7862710

CC1(C)OB(c2cnc3c(ccn3CC3CC3)c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.37
MAP3K5 Q99683 1/20 0.35
GRIN2B Q13224 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
KDM1A O60341 1/20 0.32
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
FFAR1 O14842 1/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
BRD4 O60885 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DGAT1 O75907 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL19461795 0.81 GRIN2B (0.43) GRIN2BLIPG
SCHEMBL15328787 0.81 PDGFRB (0.36) LPLLIPGFFAR1GSK3AGSK3B
SCHEMBL15328506 0.80 FFAR1 (0.34) FFAR1BRD4GSK3AGSK3BIRAK4
SCHEMBL17136844 0.79 LPL (0.36) GRM2MAP3K5LPLLIPGIRAK4
SCHEMBL12537221 0.79 DGAT1 (0.42) JAK2TYK2LPLLIPGBRD4
SCHEMBL720459 0.78 PDGFRB (0.37) LPLLIPGFFAR1GSK3AGSK3B
SCHEMBL17149346 0.78 LPL (0.36) LPLLIPGGSK3AGSK3BDGAT1
SCHEMBL2068803 0.77 APP (0.39) LPLLIPGFFAR1GSK3AGSK3B
SCHEMBL1564459 0.76 DGAT1 (0.37) LPLLIPGFFAR1BRD4GSK3A
SCHEMBL15339573 0.75 GRIN2B (0.41) GRM2MAP3K5GRIN2BJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 EP disclosed
US-20200361929-A1 INDOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-11-19 US disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 CN disclosed
US-20200109130-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-09 US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 US disclosed
CN-106986863-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2019-12-31 CN disclosed
US-8946205-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946205-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946205-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
EP-2430031-B1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed
US-20120184527-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
US-20120184527-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
US-20120184527-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
WO-2010130422-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 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 (9 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-20140045869-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK GRM2 4517/4885MAP3K5 290/4885GRIN2B 4624/4885
US-20200109130-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK GRM2 4517/4885MAP3K5 290/4885GRIN2B 4624/4885
US-20120184527-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRM3 GRM2 1/4885MAP3K5 1281/4885GRIN2B 14/4885
US-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 GRM2 2733/4885MAP3K5 3337/4885GRIN2B 812/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK GRM2 4517/4885MAP3K5 290/4885GRIN2B 4624/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK GRM2 4517/4885MAP3K5 290/4885GRIN2B 4624/4885
US-20200361929-A1 INDOLE DERIVATIVES AND USE THEREOF TRPC4, TRPV4, TRPV1 GRM2 2733/4885MAP3K5 3337/4885GRIN2B 812/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK GRM2 4517/4885MAP3K5 290/4885GRIN2B 4624/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK GRM2 4517/4885MAP3K5 290/4885GRIN2B 4624/4885

“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.