SCHEMBL5828519

SCHEMBL5828519

[NH]Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.68
CYP17A1 P05093 1/20 0.59
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
PRMT6 Q96LA8 1/20 0.46
KCNH2 Q12809 2/20 0.46
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL338810 0.82 LTA4H (0.70) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
SCHEMBL112455 0.81 LTA4H (1.00) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
SCHEMBL3245398 0.80 LTA4H (0.63) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
SCHEMBL7455134 0.79 LTA4H (0.67) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
SCHEMBL1437852 0.79 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
SCHEMBL8340210 0.79 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
SCHEMBL404521 0.79 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
Iodide SCHEMBL30800725 0.79 LTA4H (0.96) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
SCHEMBL7252949 0.79 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
SCHEMBL7504719 0.79 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2PRMT6

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-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 US disclosed
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP disclosed
EP-1021186-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2005-06-29 EP disclosed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US disclosed
US-6794390-B2 TREATING CELL PROLIFERATIVE DISORDERS SUCH AS RHEUMATOID ARTHRITIS, LUPUS, TYPE I DIABETES, MULTIPLE SCLEROSIS, CANCER, RESTENOSIS, HOST GRAFT DISEASE, GOUT, AND POLYCYSTIC KIDNEY DISEASE. CV THERAPEUTICS, INC. 2004-09-21 US disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 LTA4H 3092/4885CYP17A1 3052/4885CYP11B1 2977/4885

“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.