SCHEMBL6743451

SCHEMBL6743451

CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(C(=O)O)c(C)c2)o1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.85
NR4A1 P22736 1/20 0.85
DUSP3 P51452 1/20 0.85
CDC25B P30305 1/20 0.78
KDM4E B2RXH2 11/20 0.73
MAPT P10636 9/20 0.73
KMT2A Q03164 9/20 0.73
L3MBTL1 Q9Y468 9/20 0.73
ALDH1A1 P00352 9/20 0.73
MEN1 O00255 8/20 0.73
POLB P06746 8/20 0.73
RECQL P46063 7/20 0.73
TDP1 Q9NUW8 5/20 0.73
MCL1 Q07820 4/20 0.73
APEX1 P27695 3/20 0.73
MAPK1 P28482 2/20 0.73
THRB P10828 2/20 0.73
KEAP1 Q14145 1/20 0.73
PLEC Q15149 1/20 0.73
NFE2L2 Q16236 1/20 0.73

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
SCHEMBL11942997 0.92 AKT1 (1.00) AKT1NR4A1DUSP3CDC25BKDM4E
SCHEMBL6742448 0.91 AKT1 (0.81) AKT1NR4A1DUSP3CDC25BKDM4E
SCHEMBL6742612 0.90 AKT1 (0.88) AKT1NR4A1DUSP3CDC25BKDM4E
SCHEMBL6742722 0.87 AKT1 (1.00) AKT1NR4A1DUSP3CDC25BKDM4E
SCHEMBL4759244 0.85 MEN1 (1.00) AKT1NR4A1DUSP3CDC25BKDM4E
SCHEMBL13864202 0.84 AKT1 (0.86) AKT1NR4A1DUSP3CDC25BKDM4E
SCHEMBL13232952 0.84 AKT1 (0.86) AKT1NR4A1DUSP3CDC25BKDM4E
SCHEMBL11942999 0.84 AKT1 (0.79) AKT1NR4A1DUSP3CDC25BKDM4E
SCHEMBL6742607 0.82 AKT1 (0.68) AKT1NR4A1DUSP3CDC25BKDM4E
SCHEMBL6743582 0.82 ATAD2 (1.00) AKT1NR4A1DUSP3CDC25BKDM4E

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-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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 (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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 AKT1 964/4885NR4A1 1599/4885DUSP3 1971/4885

“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.