SCHEMBL1946233

SCHEMBL1946233

CC(=O)c1cccc(-c2cn3nc(NC4CCCCC4)sc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.56
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
NPC1 O15118 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL15603196 0.92 FYN (0.66) FYNMAPTTHRBALOX15NPC1
SCHEMBL1947371 0.89 FYN (0.68) FYNMAPTTHRBRXFP1HRH3
SCHEMBL1945112 0.89 FYN (0.49) FYNMAPTTHRBRXFP1ALDH1A1
SCHEMBL1944243 0.84 FYN (0.62) FYNMAPTTHRBRXFP1ALOX15
SCHEMBL1944785 0.84 F2RL3 (0.55) FYNMAPTRXFP1NPC1
SCHEMBL1945234 0.82 FYN (0.67) FYNLMNAALDH1A1KMT2ANPC1
SCHEMBL1945224 0.82 F2RL3 (0.57) FYNMAPTALDH1A1CDK2NPC1
SCHEMBL2250766 0.82 FYN (0.53) FYNMAPTTHRBPKMALOX15
SCHEMBL1947787 0.81 FYN (0.53) FYNMAPTTHRBRXFP1LMNA
SCHEMBL1946551 0.81 FYN (0.43) FYNMAPTALOX15NPC1

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 FYN 383/4885MAPT 3189/4885THRB 889/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885MAPT 4021/4885THRB 64/4885

“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.