SCHEMBL1785436

SCHEMBL1785436

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cccc(-n2cccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
KAT6A Q92794 3/20 0.37
SYK P43405 1/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLS O94925 2/20 0.34
TP53 P04637 1/20 0.34
BRD4 O60885 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL1785438 0.92 LMNA (0.44) LMNAGPR119KAT6ASYKERCC1
SCHEMBL18172188 0.78 GPR119 (0.37) GPR119SYKKDM4E
SCHEMBL4404243 0.74 LMNA (0.54) LMNAKDM4EGLSBRD4
SCHEMBL10565579 0.74 AKT1 (0.49) LMNAMEN1KMT2A
SCHEMBL21934953 0.74 CYP3A4 (0.41) MEN1KMT2A
SCHEMBL21934955 0.73 RAB9A (0.43) KDM4E
SCHEMBL25541945 0.73 RAB9A (0.38) KDM4E
SCHEMBL27519236 0.73 KAT6A (0.48) LMNAGPR119KAT6AERCC1ERCC4
SCHEMBL17101625 0.73 RAB9A (0.48) GPR119MEN1KMT2A
SCHEMBL21583859 0.72 LMNA (0.52) LMNAKDM4EGLSBRD4

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-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R LMNA 2884/4885GPR119 45/4885KAT6A 4343/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R LMNA 2884/4885GPR119 45/4885KAT6A 4343/4885

“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.