SCHEMBL3050825

SCHEMBL3050825

O=C1C(Br)=C(c2c[nH]c3ncccc23)C(=O)N1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.56
PIM1 P11309 4/20 0.51
CDK2 P24941 5/20 0.46
ROCK2 O75116 3/20 0.46
PRKACA P17612 3/20 0.46
GSK3B P49841 3/20 0.46
HIPK2 Q9H2X6 3/20 0.46
IRAK4 Q9NWZ3 3/20 0.46
PLK4 O00444 2/20 0.46
CHEK1 O14757 2/20 0.46
JAK2 O60674 2/20 0.46
EGFR P00533 2/20 0.46
CSF1R P07333 2/20 0.46
RET P07949 2/20 0.46
FGFR1 P11362 2/20 0.46
TYK2 P29597 2/20 0.46
AKT1 P31749 2/20 0.46
KDR P35968 2/20 0.46
FLT3 P36888 2/20 0.46
JAK3 P52333 2/20 0.46

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
SCHEMBL5828027 0.87 PIM1 (0.47) SIRT2PIM1CDK2ROCK2PRKACA
SCHEMBL5828735 0.78 PIM1 (0.54) SIRT2PIM1CDK2ROCK2PRKACA
SCHEMBL7193605 0.72 SIRT2 (1.00) SIRT2PIM1CDK2PRKACACDK9
SCHEMBL5879226 0.71 FLT3 (0.57) SIRT2PIM1CDK2ROCK2PRKACA
SCHEMBL5828525 0.70 SIRT2 (0.59) SIRT2PIM1CDK2PRKACAGSK3B
SCHEMBL17210880 0.70 PIM1 (0.50) PIM1CDK2ROCK2PRKACAGSK3B
Tert-Butyl Formate SCHEMBL27610429 0.70 PIM1 (0.45) SIRT2PIM1CDK2KDRFLT3
SCHEMBL3065646 0.69 ELANE (0.61) GSK3BCYP1B1
SCHEMBL16705131 0.69 FLT3 (0.67) SIRT2PIM1CDK2ROCK2PRKACA
SCHEMBL13204318 0.69 PIM1 (0.54) SIRT2PIM1CDK2ROCK2PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470849-B2 7-azaindole derivatives as selective 11-β-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
US-8470849-B2 7-azaindole derivatives as selective 11-β-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
US-8470849-B2 7-azaindole derivatives as selective 11-β-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
EP-2247589-B1 7-AZAINDOLE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS MERCK PATENT GMBH (DE) 2012-11-21 EP disclosed
US-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors MERCK PATENT GESELLSCHAFT 2010-10-21 US disclosed
US-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors MERCK PATENT GESELLSCHAFT 2010-10-21 US disclosed
US-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors MERCK PATENT GESELLSCHAFT 2010-10-21 US disclosed
WO-2009059666-A1 7-AZAINDOLE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS MERCK PATENT GMBH (DE) 2009-05-14 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-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors HSD11B1, HSD17B1, HSD11B2 SIRT2 2301/4885PIM1 4103/4885CDK2 2692/4885

“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.