SCHEMBL3880707

SCHEMBL3880707

CCOC(=O)c1ccc2ncc(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
RXFP1 Q9HBX9 1/20 0.47
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45

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
SCHEMBL3880790 0.90 ACHE (0.52) NPC1RAB9ARXFP1HSD17B10HTT
SCHEMBL3879992 0.82 ALDH1A1 (0.56) NPC1RAB9ARXFP1HSD17B10HTT
SCHEMBL3881847 0.80 NPC1 (0.56) NPC1RAB9ARXFP1HSD17B10MAPT
SCHEMBL3883031 0.79 ALDH1A1 (0.45) NPC1RAB9AHSD17B10HTTMAPT
SCHEMBL3886240 0.78 ALDH1A1 (0.44) NPC1RAB9AHSD17B10HTTMAPT
SCHEMBL3882435 0.78 KDM4E (0.45) NPC1RAB9AHSD17B10HTTMAPT
SCHEMBL3881603 0.77 ALDH1A1 (0.46) NPC1RAB9AHSD17B10HTTMAPT
SCHEMBL31428641 0.76 ALDH1A1 (0.53) NPC1RAB9AHSD17B10MAPTTP53
SCHEMBL7571121 0.75 KDM4E (0.50) NPC1RAB9ARXFP1HTTMAPT
SCHEMBL30418797 0.75 GRM5 (0.53) NPC1RAB9AHTTMAPTALDH1A1

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 NPC1 3984/4885RAB9A 3060/4885RXFP1 3768/4885

“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.