SCHEMBL74654

SCHEMBL74654

CCC(C(=O)O)c1ccc2c(c1)sc1nc(-c3ccc(N)cc3)cn12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MAPT P10636 5/20 0.48
TP53 P04637 4/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RXFP1 Q9HBX9 2/20 0.44
KDM4E B2RXH2 2/20 0.44
APP P05067 1/20 0.44
THRB P10828 2/20 0.43

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
SCHEMBL74655 0.92 MAPT (0.42) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL13054386 0.78 LMNA (0.55) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3453279 0.78 TP53 (0.48) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL74189 0.77 FLT3 (0.74)
SCHEMBL20303360 0.77 FLT3 (0.53) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL74730 0.76 MAPT (0.80) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL13198304 0.74 LMNA (0.51) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL14815795 0.74 LMNA (0.51) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3864616 0.74 LMNA (0.58) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL8739574 0.74 LMNA (0.46) LMNAMAPTTP53RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921546-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2014-12-30 US disclosed
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2014-08-28 US disclosed
US-8557810-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2013-10-15 US disclosed
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2012-05-24 US disclosed
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 US disclosed
US-20070232604-A1 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 2007-10-04 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-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 LMNA 3036/4885MAPT 1188/4885TP53 743/4885
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 LMNA 3036/4885MAPT 1188/4885TP53 743/4885
US-20070232604-A1 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 GRK2, GRK3, BLK LMNA 1744/4885MAPT 1520/4885TP53 2708/4885

“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.