SCHEMBL6743582

SCHEMBL6743582

CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 1.00
AKT1 P31749 2/20 0.75
CDC25B P30305 1/20 0.75
NR4A1 P22736 1/20 0.72
DUSP3 P51452 1/20 0.72
KDM4E B2RXH2 8/20 0.71
MEN1 O00255 8/20 0.71
KMT2A Q03164 8/20 0.71
MAPT P10636 7/20 0.71
L3MBTL1 Q9Y468 7/20 0.71
ALDH1A1 P00352 6/20 0.71
POLB P06746 6/20 0.71
RECQL P46063 5/20 0.71
MAPK1 P28482 2/20 0.71
THRB P10828 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
MCL1 Q07820 2/20 0.71
APEX1 P27695 1/20 0.71
KEAP1 Q14145 1/20 0.71
PLEC Q15149 1/20 0.71

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
SCHEMBL6721114 0.89 ATAD2 (0.80) ATAD2AKT1CDC25BNR4A1DUSP3
SCHEMBL6742722 0.86 AKT1 (1.00) ATAD2AKT1CDC25BNR4A1DUSP3
SCHEMBL6742612 0.85 AKT1 (0.88) ATAD2AKT1CDC25BNR4A1DUSP3
SCHEMBL11942997 0.84 AKT1 (1.00) ATAD2AKT1CDC25BNR4A1DUSP3
SCHEMBL4759244 0.83 MEN1 (1.00) ATAD2AKT1CDC25BNR4A1DUSP3
SCHEMBL6743451 0.82 AKT1 (0.85) ATAD2AKT1CDC25BNR4A1DUSP3
SCHEMBL6742448 0.80 AKT1 (0.81) ATAD2AKT1CDC25BNR4A1DUSP3
SCHEMBL11942999 0.79 AKT1 (0.79) ATAD2AKT1CDC25BNR4A1DUSP3
SCHEMBL13864202 0.76 AKT1 (0.86) ATAD2AKT1CDC25BNR4A1DUSP3
SCHEMBL13232952 0.76 AKT1 (0.86) ATAD2AKT1CDC25BNR4A1DUSP3

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 ATAD2 1637/4885AKT1 964/4885CDC25B 2419/4885

“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.