SCHEMBL11942997

SCHEMBL11942997

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 1.00
DUSP3 P51452 2/20 1.00
NR4A1 P22736 1/20 1.00
CDC25B P30305 1/20 0.75
ATAD2 Q6PL18 1/20 0.72
KDM4E B2RXH2 11/20 0.71
KMT2A Q03164 11/20 0.71
MAPT P10636 10/20 0.71
MEN1 O00255 10/20 0.71
ALDH1A1 P00352 8/20 0.71
POLB P06746 8/20 0.71
L3MBTL1 Q9Y468 7/20 0.71
RECQL P46063 7/20 0.71
TDP1 Q9NUW8 6/20 0.71
MCL1 Q07820 3/20 0.71
MAPK1 P28482 2/20 0.71
THRB P10828 2/20 0.71
APEX1 P27695 2/20 0.71
KEAP1 Q14145 2/20 0.71
NFE2L2 Q16236 2/20 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
SCHEMBL6742612 0.94 AKT1 (0.88) AKT1DUSP3NR4A1CDC25BATAD2
SCHEMBL13864202 0.93 AKT1 (0.86) AKT1DUSP3NR4A1CDC25BATAD2
SCHEMBL13232952 0.93 AKT1 (0.86) AKT1DUSP3NR4A1CDC25BATAD2
SCHEMBL6743451 0.92 AKT1 (0.85) AKT1DUSP3NR4A1CDC25BATAD2
SCHEMBL6742448 0.89 AKT1 (0.81) AKT1DUSP3NR4A1CDC25BATAD2
SCHEMBL6721111 0.89 AKT1 (0.80) AKT1DUSP3NR4A1CDC25BATAD2
SCHEMBL6742722 0.86 AKT1 (1.00) AKT1DUSP3NR4A1CDC25BATAD2
SCHEMBL6743582 0.84 ATAD2 (1.00) AKT1DUSP3NR4A1CDC25BATAD2
SCHEMBL11942993 0.84 AKT1 (0.72) AKT1DUSP3NR4A1CDC25BATAD2
SCHEMBL4759244 0.83 MEN1 (1.00) AKT1DUSP3NR4A1CDC25BATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040081-A1 VACCINIA VIRAL POLYMERASE-MEDIATED VIRAL REPLICATION IMMUNOLUX INTERNATIONAL CORP. 2023-02-09 US disclosed
US-20120190707-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME SANFORD-BURNHAM RESEARCH INSTITUTE 2012-07-26 US disclosed
US-20120190707-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME SANFORD-BURNHAM RESEARCH INSTITUTE 2012-07-26 US disclosed
WO-2010075443-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-01 WO disclosed
US-20100168162-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-01 US disclosed
US-20100168162-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-01 US disclosed
US-20090131474-A1 SCREENING METHODS FOR PROTEIN KINASE B INHIBITORS EMPLOYING VIRTUAL DOCKING APPROACHES AND COMPOUNDS AND COMPOSITIONS DISCOVERED THEREBY BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2009-05-21 US disclosed
US-20090131474-A1 SCREENING METHODS FOR PROTEIN KINASE B INHIBITORS EMPLOYING VIRTUAL DOCKING APPROACHES AND COMPOUNDS AND COMPOSITIONS DISCOVERED THEREBY BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2009-05-21 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 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 (5 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-20090131474-A1 SCREENING METHODS FOR PROTEIN KINASE B INHIBITORS EMPLOYING VIRTUAL DOCKING APPROACHES AND COMPOUNDS AND COMPOSITIONS DISCOVERED THEREBY AKT1S1, AKT1, PIK3CA AKT1 2/4885DUSP3 418/4885NR4A1 2328/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD AKT1 984/4885DUSP3 282/4885NR4A1 4082/4885
US-20120190707-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME AKT1S1, AKT1, PIK3CA AKT1 2/4885DUSP3 176/4885NR4A1 3616/4885
US-20230040081-A1 VACCINIA VIRAL POLYMERASE-MEDIATED VIRAL REPLICATION POLR1G, POLR1A, POLR1E AKT1 1877/4885DUSP3 1426/4885NR4A1 4320/4885
US-20100168162-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME AKT1S1, AKT1, PIK3CA AKT1 2/4885DUSP3 411/4885NR4A1 3102/4885

“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.