SCHEMBL3887905

SCHEMBL3887905

CCC(CC)Oc1c(C#N)cnc2ccc(C=O)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.38
LRRK2 Q5S007 1/20 0.33
PDE4B Q07343 1/20 0.33
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
GSK3B P49841 1/20 0.32
PRKDC P78527 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
ATR Q13535 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAF1 P04049 1/20 0.31
MAP2K1 Q02750 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
SCHEMBL13955599 0.87 SRC (0.42) SRCLRRK2PRKDC
SCHEMBL5507082 0.86 SRC (0.35) SRCLRRK2KDRPIK3CAPIK3CB
SCHEMBL3883366 0.85 SRC (0.41) SRCALDH1A1
SCHEMBL3891428 0.82 SRC (0.38) SRCLRRK2
SCHEMBL3882532 0.82 SRC (0.40) SRCALDH1A1RAF1MAP2K1
SCHEMBL3884874 0.82 SRC (0.38) SRCLRRK2PDE4BKDRPIK3CA
SCHEMBL3892644 0.81 SRC (0.36) SRCLRRK2PRKDCALDH1A1
SCHEMBL3892401 0.80 SRC (0.41) SRCKDR
SCHEMBL3889166 0.80 SRC (0.38) SRCLRRK2PDE4BALDH1A1RAF1
SCHEMBL13955661 0.80 KMT2A (0.46) LRRK2ALDH1A1

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-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
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
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
CN-1976927-A Quinoline thiazolinone compound HOFFMANN LA ROCHE (CH) 2007-06-06 CN 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 SRC 1014/4885LRRK2 1506/4885PDE4B 2464/4885

“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.