SCHEMBL3700218

SCHEMBL3700218

NC(=O)c1cc(-c2ccccc2)cn2c(Br)c(C(=O)O)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 5/20 0.42
IKBKB O14920 3/20 0.41
AKT1 P31749 4/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CHUK O15111 2/20 0.39
JAK2 O60674 5/20 0.39
JAK1 P23458 5/20 0.39
TYK2 P29597 5/20 0.39
JAK3 P52333 5/20 0.39
PARP1 P09874 2/20 0.39
IKBKE Q14164 1/20 0.38
PKMYT1 Q99640 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
APOBEC3A P31941 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL3687958 0.82 MDM2 (0.40) AKR1C2AKR1C1APOBEC3ACTDSP1APOBEC3G
SCHEMBL3650030 0.79 ALDH1A1 (0.43) APOBEC3ACTDSP1APOBEC3G
SCHEMBL3688490 0.79 LDHA (0.43) APOBEC3ACTDSP1APOBEC3G
SCHEMBL7491326 0.78 LMNA (0.47) RXFP1
SCHEMBL3684228 0.72 IKBKB (0.44) IKBKBRXFP1CHUKJAK2JAK1
SCHEMBL3684406 0.71 AKR1C4 (0.39) AKT2AKT1AKR1C4AKR1C3AKR1C2
SCHEMBL3643185 0.70 AKR1C2 (0.36) AKR1C2AKR1C1APOBEC3ACTDSP1APOBEC3G
SCHEMBL3688388 0.69 PIN1 (0.41)
SCHEMBL3695641 0.68 AKR1C2 (0.41) AKR1C2AKR1C1
SCHEMBL3690057 0.64 LDHA (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 AKT2 4205/4885IKBKB 1843/4885AKT1 3345/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 AKT2 4205/4885IKBKB 1843/4885AKT1 3345/4885

“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.