SCHEMBL5776810

SCHEMBL5776810

CC(C)(C)OC(=O)Nc1ccnc(C#N)c1I

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.41
PLCG1 P19174 1/20 0.41
METAP1 P53582 1/20 0.40
EGLN2 Q96KS0 3/20 0.38
SYK P43405 1/20 0.37
CYP17A1 P05093 3/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
AAK1 Q2M2I8 3/20 0.36
AR P10275 1/20 0.35
NAMPT P43490 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
SCHEMBL23482061 0.81 PLCG1 (0.52) ATRPLCG1METAP1EGLN2SYK
SCHEMBL30534254 0.81 PLCG1 (0.52) ATRPLCG1METAP1EGLN2SYK
SCHEMBL4393718 0.81 ATR (0.58) ATRMETAP1CYP17A1AAK1NAMPT
SCHEMBL5779641 0.78 ATR (0.46) ATRMETAP1CYP17A1AAK1NAMPT
SCHEMBL3456534 0.71 EGLN2 (0.47) ATREGLN2CYP17A1AAK1
SCHEMBL5776893 0.71 EGLN2 (0.38) ATRMETAP1EGLN2CYP17A1AAK1
SCHEMBL4037373 0.71 NAMPT (0.47) ATRMETAP1CYP17A1NAMPT
SCHEMBL30888170 0.71 ATR (0.59) ATRMETAP1CYP17A1AAK1NAMPT
SCHEMBL16992920 0.71 ATR (0.46) ATRMETAP1CYP17A1AAK1NAMPT
SCHEMBL1058106 0.70 ATR (0.59) ATRMETAP1CYP17A1AAK1NAMPT

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 5 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
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 ATR 2336/4885PLCG1 1823/4885METAP1 2140/4885

“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.