SCHEMBL2806506

SCHEMBL2806506

CC1CC(=O)NN=C1c1ccc(NC(=O)c2csc(C3CCN(C(=O)OCc4ccc(Cl)cc4)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.51
PDE3A Q14432 5/20 0.51
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ENPP2 Q13822 6/20 0.43
TRPC3 Q13507 1/20 0.42
TRPC7 Q9HCX4 1/20 0.42
GPR119 Q8TDV5 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C9 P11712 1/20 0.39
GFER P55789 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2807878 0.88 PDE3B (0.50) PDE3BPDE3AMAPTSMN1; SMN2GPR119
SCHEMBL2809066 0.79 GRIN2B (0.47) MAPTSMN1; SMN2ENPP2TRPC3TRPC7
SCHEMBL11162096 0.77 PDE3B (0.81) PDE3BPDE3AMAPTSMN1; SMN2GPR119
SCHEMBL2805845 0.77 ROCK2 (0.48) ENPP2
SCHEMBL2814527 0.76 GRIN2D (0.49) ENPP2
SCHEMBL2809050 0.76 ENPP2 (0.43) MAPTSMN1; SMN2ENPP2TRPC3TRPC7
SCHEMBL2806643 0.75 ENPP2 (0.43) MAPTSMN1; SMN2ENPP2TRPC3TRPC7
SCHEMBL2806832 0.75 JAK2 (0.44) ENPP2TRPC3TRPC7
SCHEMBL2806515 0.74 ENPP2 (0.42) MAPTSMN1; SMN2ENPP2TRPC3TRPC7
SCHEMBL8551127 0.72 LMNA (0.45) MAPTSMN1; SMN2ENPP2KDM4EALDH1A1

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