SCHEMBL5776893

SCHEMBL5776893

CC(C)(C)OC(=O)Nc1cnc(C#N)cc1I

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.38
GPR119 Q8TDV5 2/20 0.36
AR P10275 3/20 0.36
METAP1 P53582 1/20 0.35
CHEK1 O14757 3/20 0.34
TRPA1 O75762 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
ATR Q13535 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL29751372 0.81 AAK1 (0.38) METAP1TRPA1AAK1ATRBRD9
SCHEMBL1581324 0.81 ATR (0.42) METAP1TRPA1AAK1ATRBRD9
SCHEMBL29364468 0.81 ATR (0.42) METAP1TRPA1AAK1ATRBRD9
SCHEMBL1427984 0.81 AAK1 (0.38) METAP1TRPA1AAK1ATRBRD9
SCHEMBL12097975 0.81 BRD9 (0.39) METAP1AAK1ATRBRD9MAPKAPK2
SCHEMBL594117 0.80 CYP17A1 (0.40) METAP1AAK1ATRBRD9GSK3B
SCHEMBL1430094 0.78 ATR (0.38) METAP1AAK1ATRBRD9GSK3B
SCHEMBL13568083 0.77 METAP1 (0.36) METAP1TRPA1AAK1ATRBRD9
SCHEMBL1492572 0.77 METAP1 (0.36) METAP1TRPA1AAK1ATRBRD9
SCHEMBL5778030 0.77 RXFP1 (0.40) ARMETAP1ATRBRD9GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R EGLN2 4467/4885GPR119 57/4885AR 29/4885

“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.