SCHEMBL1945101

SCHEMBL1945101

O=C(NCCO)c1ccc(-c2cn3nc(NCC4CC4)sc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
IKBKB O14920 7/20 0.42
F2RL3 Q96RI0 1/20 0.41
MAPK14 Q16539 3/20 0.39
FYN P06241 3/20 0.39
MAPT P10636 3/20 0.39
MKNK1 Q9BUB5 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ACP1 P24666 1/20 0.38
THRB P10828 1/20 0.38
CHUK O15111 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
SCHEMBL1944439 0.93 TTK (0.45) KDM4EALDH1A1F2RL3FYN
SCHEMBL1945044 0.84 KDM4E (0.43) KDM4EALDH1A1F2RL3FYNMAPT
SCHEMBL1944146 0.83 RAB9A (0.49) KDM4EALDH1A1F2RL3FYNMAPT
SCHEMBL1946532 0.83 KDM4E (0.51) KDM4EALDH1A1F2RL3FYNMAPT
SCHEMBL1945276 0.82 MAPT (0.45) KDM4EFYNMAPTMKNK1LMNA
SCHEMBL1944318 0.82 MKNK1 (0.45) KDM4EF2RL3FYNMAPTMKNK1
SCHEMBL1944253 0.81 TP53 (0.53) KDM4EF2RL3FYNMAPTMKNK1
SCHEMBL1944353 0.80 MAPT (0.47) KDM4EALDH1A1F2RL3MAPTLMNA
SCHEMBL2258605 0.80 FYN (0.51) IKBKBFYN
SCHEMBL1944812 0.80 THRB (0.48) KDM4EALDH1A1F2RL3FYNMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2193133-B1 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-19 EP disclosed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8563550-B2 Imidazolothiadiazoles for use as protein kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) 2013-10-22 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-08-04 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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 (2 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-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 KDM4E 1465/4885ALDH1A1 2966/4885IKBKB 298/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R KDM4E 2685/4885ALDH1A1 416/4885IKBKB 151/4885

“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.