SCHEMBL2492327

SCHEMBL2492327

CC(C)(C)[Si](C)(C)OCC1CNC2(CC2)CN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.33
CYP2C19 P33261 1/20 0.33
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
THRB P10828 1/20 0.31
GRM6 O15303 1/20 0.31
ADRA2A P08913 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PARP1 P09874 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL2489070 0.84 CYP2C19 (0.35) CYP2C19XIAPBIRC2OPRM1OPRL1
SCHEMBL6402255 0.78 MAPT (0.38) TOP2ASIGMAR1
SCHEMBL22661900 0.78 GRM6 (0.37) CYP2C19OPRM1OPRL1GRM6SIGMAR1
SCHEMBL22661873 0.78 GRM6 (0.37) CYP2C19OPRM1OPRL1GRM6SIGMAR1
SCHEMBL7918136 0.78 GRM6 (0.37) CYP2C19OPRM1OPRL1GRM6SIGMAR1
SCHEMBL21828897 0.77 TOP2A (0.34) TOP2ACYP2C19THRBSIGMAR1
SCHEMBL16439749 0.77 TOP2A (0.34) TOP2ACYP2C19THRBADRA2ASIGMAR1
Hydrochloric Acid SCHEMBL16430426 0.76 OPRK1 (0.34) TOP2ACYP2C19THRBADRA2ASIGMAR1
Hydrochloric Acid SCHEMBL16430424 0.76 OPRK1 (0.34) TOP2ACYP2C19THRBADRA2ASIGMAR1
SCHEMBL2491207 0.76 GRM6 (0.40) CYP2C19GRM6SIGMAR1

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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
EP-2380892-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-10-26 EP 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 (1 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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure MDM2, TP53, TP53BP1 TOP2A 656/4885CYP2C19 4314/4885XIAP 144/4885

“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.