SCHEMBL12355091

SCHEMBL12355091

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.63
▸ BACE1 P56817 1/20 0.61
▸ TP53 P04637 1/20 0.59
▸ CDC25A P30304 1/20 0.58
▸ CDC25B P30305 1/20 0.58
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ DUSP26 Q9BV47 1/20 0.50
▸ PIK3CG P48736 1/20 0.49
▸ TTR P02766 1/20 0.49

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
SCHEMBL3151468 0.90 BACE1 (0.76) MAPTBACE1TP53CDC25ACDC25B
SCHEMBL12355087 0.90 MAPT (0.63) MAPTBACE1TP53CDC25ACDC25B
SCHEMBL1789288 0.85 CDC25A (0.75) MAPTBACE1TP53CDC25ACDC25B
SCHEMBL2242215 0.84 MAPT (0.62) MAPTBACE1TP53CDC25ACDC25B
SCHEMBL3151416 0.84 MAPT (0.76) MAPTBACE1TP53CDC25ACDC25B
SCHEMBL1788293 0.82 MEN1 (0.68) MAPTBACE1TP53CDC25ACDC25B
SCHEMBL1789934 0.82 MEN1 (0.68) MAPTBACE1TP53CDC25ACDC25B
SCHEMBL1790930 0.82 CDC25A (0.77) MAPTBACE1TP53CDC25ACDC25B
SCHEMBL3135247 0.82 MAPT (0.70) MAPTBACE1TP53CDC25ACDC25B
SCHEMBL1791525 0.82 CDC25A (0.67) MAPTBACE1TP53CDC25ACDC25B

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 6 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-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

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 1585/4885BACE1 3186/4885TP53 2587/4885
US-20140128388-A1 TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX HCK, DCK, NCK1 MAPT 1549/4885BACE1 3121/4885TP53 2605/4885

“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.

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