SCHEMBL3065347

SCHEMBL3065347

Cc1nc(-c2cccnc2)sc1C(=O)Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.75
CYP3A4 P08684 4/20 0.75
CYP2C19 P33261 3/20 0.75
LMNA P02545 1/20 0.75
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
MAPT P10636 4/20 0.58
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
BRAF P15056 2/20 0.51
CDC7 O00311 2/20 0.50
DBF4 Q9UBU7 2/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GFER P55789 1/20 0.48
HDAC3 O15379 1/20 0.48

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
Hydrochloric Acid SCHEMBL11388173 0.99 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19LMNAKMT2A
SCHEMBL595294 0.87 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C19LMNAKMT2A
SCHEMBL1574577 0.87 CYP3A4 (0.77) CYP1A2CYP3A4CYP2C19LMNAKMT2A
SCHEMBL29783018 0.87 CYP3A4 (0.77) CYP1A2CYP3A4CYP2C19LMNAKMT2A
Hydrochloric Acid SCHEMBL1679765 0.86 CYP3A4 (0.75) CYP1A2CYP3A4CYP2C19LMNAKMT2A
Hydrochloric Acid SCHEMBL11388179 0.86 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C19LMNAKMT2A
SCHEMBL5211666 0.86 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19LMNAKMT2A
SCHEMBL11387955 0.84 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19LMNAKMT2A
SCHEMBL11389733 0.84 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19LMNAKMT2A
SCHEMBL14164738 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790723-B2 Thiazole derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2010-09-07 US disclosed
US-20050222160-A1 Thiazole derivatives as phosphodiesterase iv inhibitors MERCK PATENT GMBH (DE) 2005-10-06 US disclosed
CN-1662529-A Thiazole derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2005-08-31 CN 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-20050222160-A1 Thiazole derivatives as phosphodiesterase iv inhibitors PDE3B, PDE4B, PDE4A CYP1A2 922/4885CYP3A4 357/4885CYP2C19 1025/4885

“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.