SCHEMBL14426804

SCHEMBL14426804

COc1cccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3[nH]nc(C)c3c2=N)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.68
▸ TP53 P04637 7/20 0.68
▸ ALDH1A1 P00352 5/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ HPGD P15428 3/20 0.68
▸ USP2 O75604 3/20 0.68
▸ GAA P10253 2/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ HSD17B10 Q99714 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ LMNA P02545 3/20 0.54
▸ POLB P06746 3/20 0.54
▸ THRB P10828 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL14426800 0.93 MAPT (0.77) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL14426815 0.93 MAPT (0.69) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL14426814 0.92 MAPT (0.73) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL14426823 0.91 MAPT (0.61) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL14426817 0.88 MAPT (0.70) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL14426811 0.87 ALDH1A1 (0.66) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL14426806 0.87 MEN1 (0.62) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL14426827 0.86 MAPT (0.62) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL14426813 0.85 MEN1 (0.59) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL14426821 0.84 MAPT (0.69) MAPTTP53ALDH1A1KDM4EHPGD

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-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 — — US disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 — — US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 — — US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 — — 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-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain LCK, PTPN6, PTPN22 MAPT 2522/4885TP53 412/4885ALDH1A1 4878/4885
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain LCK, PTPN6, PTPN22 MAPT 2522/4885TP53 412/4885ALDH1A1 4878/4885

“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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