SCHEMBL3453279

SCHEMBL3453279

Nc1ccc(-c2cn3c(n2)sc2cc(CC(=O)O)ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
LMNA P02545 5/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FLT3 P36888 1/20 0.48
RXFP1 Q9HBX9 3/20 0.48
THRB P10828 4/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL3453283 0.91 KDM4E (0.44) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL8739574 0.85 LMNA (0.46) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL74473 0.85 TP53 (0.46) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL13054386 0.85 LMNA (0.55) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL20303360 0.81 FLT3 (0.53) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL73287 0.79 MAPT (0.55) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL13198304 0.78 LMNA (0.51) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL14815795 0.78 LMNA (0.51) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL11013003 0.78 MAPT (0.67) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL74654 0.78 LMNA (0.48) TP53LMNAMAPTRAB9ASMN1; SMN2

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
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2015-05-07 US disclosed
EP-2001892-B1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES AMBIT BIOSCIENCES CORP (US) 2013-04-24 EP disclosed
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2010-11-25 US disclosed
US-7820657-B2 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION (US) 2010-10-26 US disclosed
EP-2001892-A2 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE Ambit Biosciences Corporation (US) 2008-12-17 EP disclosed
WO-2007109120-A2 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2007-09-27 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 (3 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-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 TP53 743/4885LMNA 3036/4885MAPT 1188/4885
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK5 TP53 1354/4885LMNA 2536/4885MAPT 1392/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 TP53 743/4885LMNA 3036/4885MAPT 1188/4885

“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.