SCHEMBL1734113

SCHEMBL1734113

CC(C)(C)[Si](OCCc1ccnc(C#N)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
CTSK P43235 3/20 0.34
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
LTA4H P09960 1/20 0.32
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
PPARG P37231 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL17288279 0.81 FFAR1 (0.34) SMYD2CTSKCYP3A4HTTSMN1; SMN2
SCHEMBL30298249 0.81 LOX (0.40) SMYD2LTA4HCYP3A4HTTSMN1; SMN2
SCHEMBL2021482 0.81 PDE4A (0.32) CTSK
SCHEMBL3597030 0.74 BTK (0.33) SMYD2
SCHEMBL16319196 0.73 BACE1 (0.34) SMYD2CYP19A1CYP3A4HTTSMN1; SMN2
SCHEMBL27472663 0.73 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2PPARD
SCHEMBL19032951 0.73 SMYD2 (0.35) SMYD2CYP19A1CYP11B1CYP11B2
SCHEMBL6651489 0.73 TAAR1 (0.42)
SCHEMBL3508621 0.71 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL2466725 0.71 PPARA (0.39) SMYD2CYP3A4HTTSMN1; SMN2PPARD

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
EP-1557168-B1 Biarylurea Derivatives MSD KK (JP) 2011-11-16 EP disclosed
US-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
EP-1199306-B1 BIARYLUREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2005-12-07 EP disclosed
US-6958333-B1 Biarylurea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-10-25 US disclosed
EP-1557168-A2 Biarylurea Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-27 EP disclosed
EP-1199306-A1 BIARYLUREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-04-24 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-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI SMYD2 2399/4885CTSK 3856/4885CYP19A1 166/4885

“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.