SCHEMBL3883979

SCHEMBL3883979

CC(C)(C)[Si](C)(C)OCCCSc1c(C#N)cnc2ccc(I)cc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.40
NMT1 P30419 3/20 0.33
SRC P12931 2/20 0.33
NMT2 O60551 1/20 0.32
AR P10275 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
SCHEMBL3882392 0.85 ENPP1 (0.41) ENPP1NMT1SRCNMT2
SCHEMBL3880124 0.82 ENPP1 (0.44) ENPP1NMT1SRCNMT2AR
SCHEMBL3881730 0.80 ENPP1 (0.41) ENPP1NMT1SRCNMT2
SCHEMBL3882256 0.77 PKM (0.39) ENPP1NMT1SRCNMT2
SCHEMBL14452642 0.77 KMT2A (0.39) ENPP1
SCHEMBL3880420 0.76 ENPP1 (0.36) ENPP1
SCHEMBL3883610 0.74 SRC (0.38) ENPP1SRCAR
SCHEMBL3881744 0.74 SRC (0.40) ENPP1SRC
SCHEMBL3880280 0.74 LRRK2 (0.38) ENPP1NMT1SRCAR
SCHEMBL3889774 0.70 LRRK2 (0.40) ENPP1NMT1SRCAR

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
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 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 (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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 ENPP1 3797/4885NMT1 1824/4885SRC 1014/4885

“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.