SCHEMBL2807878

SCHEMBL2807878

CC1CC(=O)NN=C1c1ccc(NC(=O)c2csc(C3CCN(Cc4ccc(Cl)cc4)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.50
PDE3A Q14432 8/20 0.50
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPKAPK2 P49137 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
TNNC1 P63316 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2806506 0.88 PDE3B (0.51) PDE3BPDE3AMAPTSMN1; SMN2MAPKAPK2
SCHEMBL10473610 0.75 PDE3B (0.69) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL11162096 0.72 PDE3B (0.81) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL11165831 0.72 PDE3B (0.61) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL10412271 0.72 PDE3B (0.61) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL10473876 0.70 PDE3B (0.67) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL21944903 0.70 EGFR (0.46) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL10472699 0.70 PDE3B (0.64) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL10412281 0.70 PDE3B (0.55) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL3723997 0.69 PDE3B (1.00) PDE3BPDE3AMAPTSMN1; SMN2KDM4E

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-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US claimed

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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 PDE3B 3009/4885PDE3A 3204/4885MAPT 1450/4885

“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.