SCHEMBL3453283

SCHEMBL3453283

Nc1ccc(-c2cn3c(n2)sc2ccc(CC(=O)O)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TP53 P04637 5/20 0.42
FLT3 P36888 2/20 0.42
LMNA P02545 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MET P08581 3/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 3/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL3453279 0.91 TP53 (0.48) TP53FLT3LMNARXFP1MAPT
SCHEMBL74474 0.85 F2RL3 (0.42) KDM4ETP53FLT3LMNARXFP1
SCHEMBL20303359 0.81 FLT3 (0.46) KDM4ETP53FLT3LMNARXFP1
SCHEMBL73288 0.79 MAPT (0.48) KDM4ETP53FLT3LMNAMAPT
SCHEMBL11013010 0.78 MAPT (0.56) KDM4ETP53FLT3LMNARXFP1
SCHEMBL74655 0.78 MAPT (0.42) KDM4ETP53FLT3LMNARXFP1
SCHEMBL74473 0.76 TP53 (0.46) TP53FLT3LMNARXFP1MAPT
SCHEMBL3453683 0.76 FLT3 (0.50) FLT3MAPTTSHR
SCHEMBL8739574 0.76 LMNA (0.46) TP53FLT3LMNARXFP1MAPT
SCHEMBL3864619 0.76 LMNA (0.50) TP53LMNAMAPTTHRBTSHR

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 5 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

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 KDM4E 4443/4885TP53 743/4885FLT3 210/4885
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK5 KDM4E 4486/4885TP53 1354/4885FLT3 363/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 KDM4E 4443/4885TP53 743/4885FLT3 210/4885

“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.