SCHEMBL2809795

SCHEMBL2809795

O=C(Nc1ccc2[nH]nnc2c1)c1csc(N2CCN(C(=O)OCc3ccc(SC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
FLT3 P36888 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 3/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
ENPP2 Q13822 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2810678 0.91 ENPP2 (0.40) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL2809858 0.90 ENPP2 (0.43) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL2806745 0.90 MAPT (0.45) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL2805530 0.89 MAPT (0.46) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL2810311 0.88 MAPT (0.42) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL2811498 0.88 MAPT (0.42) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL13129755 0.88 MAPT (0.35) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL2810697 0.88 CLK2 (0.43) NPC1RAB9A
SCHEMBL2810120 0.88 MAPT (0.38) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL2865558 0.87 MAPT (0.37) MAPTLMNASMN1; SMN2TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
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
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP 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
WO-2009046842-A2 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2009-04-16 WO 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 MAPT 1450/4885LMNA 1974/4885SMN1; SMN2 3257/4885

“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.