SCHEMBL2239933

SCHEMBL2239933

O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.73
GAA P10253 4/20 0.73
CDC25A P30304 1/20 0.67
CDC25B P30305 1/20 0.67
BACE1 P56817 1/20 0.67
TP53 P04637 1/20 0.65
POLB P06746 3/20 0.64
ALDH1A1 P00352 3/20 0.64
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
KDM4E B2RXH2 3/20 0.62
DUSP26 Q9BV47 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
GFER P55789 1/20 0.60
TTR P02766 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 1/20 0.58

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
SCHEMBL1789288 0.94 CDC25A (0.75) MAPTGAACDC25ACDC25BBACE1
SCHEMBL3135247 0.90 MAPT (0.70) MAPTCDC25ACDC25BBACE1TP53
SCHEMBL1793147 0.90 MAPT (0.76) MAPTGAAPOLBALDH1A1MEN1
SCHEMBL1790930 0.90 CDC25A (0.77) MAPTGAACDC25ACDC25BBACE1
SCHEMBL14050702 0.88 CDC25A (0.67) MAPTGAACDC25ACDC25BBACE1
SCHEMBL1793225 0.88 MAPT (0.71) MAPTGAACDC25ACDC25BBACE1
SCHEMBL1793277 0.88 MAPT (0.77) MAPTGAAPOLBALDH1A1MEN1
SCHEMBL1789256 0.88 TTR (0.73) MAPTGAACDC25ACDC25BBACE1
SCHEMBL1790988 0.88 TTR (0.73) MAPTGAACDC25ACDC25BBACE1
SCHEMBL1788293 0.88 MEN1 (0.68) MAPTGAACDC25ACDC25BBACE1

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-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 US disclosed
US-8541415-B2 Targeting an HIV-1 nef-host cell kinase complex University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-09-24 US disclosed
US-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERISTY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-08-04 US disclosed
US-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERISTY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-08-04 US disclosed
US-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERISTY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-08-04 US disclosed
WO-2009139886-A2 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-19 WO 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-20110190241-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 MAPT 1585/4885GAA 4434/4885CDC25A 346/4885
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 MAPT 1549/4885GAA 4424/4885CDC25A 334/4885

“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.