SCHEMBL73916

SCHEMBL73916

O=[N+]([O-])c1ccc(-c2cn3c(n2)sc2ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBD2 Q9UBB5 1/20 0.58
ADORA2A P29274 2/20 0.54
APP P05067 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
F2RL3 Q96RI0 1/20 0.49
RAB9A P51151 4/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FLT3 P36888 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL11004327 0.88 CASP3 (0.53) MBD2RAB9AMAPTLMNATP53
SCHEMBL14825056 0.88 MMP13 (0.49) MBD2ADORA2AAPPMMP2MMP9
SCHEMBL11366925 0.84 F2RL3 (0.46) MBD2ADORA2AAPPMMP2MMP9
SCHEMBL13539252 0.83 LMNA (0.53) MBD2APPF2RL3RAB9AMAPT
SCHEMBL73436 0.83 F2RL3 (0.46) MBD2ADORA2AAPPMMP2MMP9
SCHEMBL73435 0.83 FLT3 (0.52) MBD2APPF2RL3RAB9AMAPT
SCHEMBL11012268 0.82 MAPT (0.46) RAB9AMAPTLMNATP53TSHR
SCHEMBL84416 0.82 RAB9A (0.64) RAB9AMAPTLMNATP53TSHR
SCHEMBL28419499 0.81 FLT3 (0.47) MBD2APPF2RL3RAB9AMAPT
SCHEMBL13054387 0.80 LMNA (0.53) MBD2APPF2RL3RAB9AMAPT

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 14 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
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
EP-2001892-B1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES AMBIT BIOSCIENCES CORP (US) 2013-04-24 EP 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-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
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
WO-2007109120-A2 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2007-09-27 WO disclosed
US-4497817-A ANTIALLERGENS-IMMUNOSUPPRESSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-02-05 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 (6 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 MBD2 1996/4885ADORA2A 903/4885APP 3617/4885
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 MBD2 1996/4885ADORA2A 903/4885APP 3617/4885
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 MBD2 1996/4885ADORA2A 903/4885APP 3617/4885
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK5 MBD2 2126/4885ADORA2A 636/4885APP 3364/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 MBD2 1996/4885ADORA2A 903/4885APP 3617/4885
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 MBD2 1528/4885ADORA2A 1031/4885APP 3549/4885

“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.