SCHEMBL4759244

SCHEMBL4759244

CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccccc2C(=O)O)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 1.00
KMT2A Q03164 12/20 1.00
POLB P06746 8/20 1.00
KDM4E B2RXH2 6/20 1.00
MAPT P10636 6/20 1.00
RECQL P46063 4/20 1.00
L3MBTL1 Q9Y468 4/20 1.00
ALDH1A1 P00352 3/20 1.00
THRB P10828 3/20 1.00
MAPK1 P28482 2/20 1.00
APEX1 P27695 1/20 1.00
MCL1 Q07820 1/20 1.00
KEAP1 Q14145 1/20 1.00
PLEC Q15149 1/20 1.00
NFE2L2 Q16236 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
AKT1 P31749 2/20 0.72
CDC25B P30305 1/20 0.72
DUSP3 P51452 3/20 0.71
ATAD2 Q6PL18 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
SCHEMBL6721118 0.88 MEN1 (0.79) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL11942999 0.85 AKT1 (0.79) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL6743451 0.85 AKT1 (0.85) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL6742448 0.84 AKT1 (0.81) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL6742722 0.84 AKT1 (1.00) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL6742612 0.83 AKT1 (0.88) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL6743582 0.83 ATAD2 (1.00) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL11942997 0.83 AKT1 (1.00) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL6742607 0.78 AKT1 (0.68) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL13864202 0.76 AKT1 (0.86) MEN1KMT2APOLBKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551426-B2 Compound for inhibiting activity of ribonuclease, and container for storing nucleic acid containing the same BIONEER CORPORATION (KR) 2013-10-08 US disclosed
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-20120114535-A1 COMPOUND FOR INHIBITING ACTIVITY OF RIBONUCLEASE, AND CONTAINER FOR STORING NUCLEIC ACID CONTAINING THE SAME BIONEER CORPORATION (KR) 2012-05-10 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 (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-20120114535-A1 COMPOUND FOR INHIBITING ACTIVITY OF RIBONUCLEASE, AND CONTAINER FOR STORING NUCLEIC ACID CONTAINING THE SAME RNASE1, RNASEL, RNASEH1 MEN1 3413/4885KMT2A 1693/4885POLB 410/4885
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MEN1 4601/4885KMT2A 1477/4885POLB 26/4885

“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.