SCHEMBL12836717

SCHEMBL12836717

CC(C)(C)OC(=O)N1CCCC(c2c[nH]c3ncc(-c4cccc(O)c4)cc23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.49
JAK1 P23458 2/20 0.49
JAK2 O60674 1/20 0.49
USP30 Q70CQ3 3/20 0.48
PRMT5 O14744 1/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
ABL2 P42684 1/20 0.43
HSD11B1 P28845 4/20 0.42
IRAK1 P51617 1/20 0.42
ACKR3 P25106 1/20 0.41
SCN9A Q15858 1/20 0.41
SGK1 O00141 1/20 0.40
AURKA O14965 1/20 0.40
CAMKK1 Q8N5S9 1/20 0.40
SGK3 Q96BR1 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
SGK2 Q9HBY8 1/20 0.40
ALOX5AP P20292 1/20 0.40

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
SCHEMBL18129658 0.86 AAK1 (0.56) HPGDSJAK1JAK2CAMKK2
SCHEMBL12763412 0.81 SIGMAR1 (0.42) HSD11B1SGK1AURKACAMKK1SGK3
SCHEMBL2010568 0.80 HSD11B1 (0.62) HPGDSJAK1JAK2USP30HSD11B1
SCHEMBL12763416 0.80 LRRK2 (0.41) HSD11B1SGK1AURKACAMKK1SGK3
SCHEMBL1516744 0.79 CAMKK2 (0.53) SGK1AURKACAMKK1SGK3CAMKK2
SCHEMBL1516701 0.78 CAMKK2 (0.52) SGK1AURKACAMKK1SGK3CAMKK2
SCHEMBL18129589 0.76 AAK1 (0.56)
SCHEMBL12836724 0.75 SGK1 (0.46) ABL1EGFRSGK1AURKACAMKK2
SCHEMBL12509445 0.75 HSD11B1 (0.69) HPGDSJAK1JAK2HSD11B1
SCHEMBL5255106 0.74 KDM4E (0.56) HPGDSJAK1JAK2USP30HSD11B1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906648-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
EP-2264033-A1 3,5-DIPHENYL-SUBSTITUTED PYRROLO[2,3b]PYRIDINES USEFUL AS KINASE INHIBITORS SGX Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20090306056-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-7601839-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS INC. (US) 2009-10-13 US disclosed
US-7582637-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-09-11 US disclosed
US-7361764-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361763-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
WO-2007106236-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
US-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine SGX PHARMACEUTICALS, INC. (US) 2007-02-22 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 (5 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-20090306056-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 HPGDS 1271/4885JAK1 172/4885JAK2 291/4885
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 HPGDS 1271/4885JAK1 172/4885JAK2 291/4885
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 HPGDS 1271/4885JAK1 172/4885JAK2 291/4885
US-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine MAP3K20, MAP4K2, MAP3K6 HPGDS 1147/4885JAK1 95/4885JAK2 113/4885
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 HPGDS 741/4885JAK1 122/4885JAK2 219/4885

“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.