SCHEMBL7859604

SCHEMBL7859604

CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.72
DUSP3 P51452 4/20 0.70
MAPT P10636 1/20 0.61
PKM P14618 1/20 0.61
MAPK1 P28482 1/20 0.61
GALK1 P51570 1/20 0.61
MCL1 Q07820 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
DNMT1 P26358 2/20 0.60
PTPRC P08575 1/20 0.59
DUSP1 P28562 1/20 0.59
CDC25A P30304 1/20 0.59
PTPN7 P35236 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.59
HIF1AN Q9NWT6 1/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL7860589 0.95 PTPN1 (0.65) PTPN1DUSP3MAPTPKMMAPK1
SCHEMBL7862701 0.93 MEN1 (0.69) PTPN1DUSP3MAPTPKMMAPK1
SCHEMBL14133153 0.90 PTPN1 (0.61) PTPN1DUSP3MAPTPKMMAPK1
SCHEMBL7852509 0.88 MEN1 (0.75) PTPN1DUSP3MAPTPKMMAPK1
SCHEMBL7862704 0.84 PTPN1 (0.54) PTPN1DUSP3MAPTPKMMAPK1
SCHEMBL7859649 0.84 PTPN1 (0.64) PTPN1DUSP3MAPTPKMMAPK1
SCHEMBL14133550 0.84 CDC25B (0.60) PTPN1DUSP3MAPTPKMMAPK1
SCHEMBL1903069 0.82 DUSP3 (1.00) PTPN1DUSP3MAPTPKMMAPK1
SCHEMBL1903068 0.82 DUSP3 (1.00) PTPN1DUSP3MAPTPKMMAPK1
SCHEMBL1903070 0.82 DUSP3 (1.00) PTPN1DUSP3MAPTPKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947717-B2 Inhibitors of lethal factor protease BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-24 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 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 (1 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-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 PTPN1 2099/4885DUSP3 2075/4885MAPT 2957/4885

“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.