SCHEMBL4902472

SCHEMBL4902472

Cc1ccsc1CNC1=NC(=O)/C(=C/Cc2ccc3ncccc3c2)S1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
KDR P35968 4/20 0.33
BRD4 O60885 1/20 0.33
KAT2B Q92831 1/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CLK1 P49759 2/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PNP P00491 1/20 0.32
DAO P14920 1/20 0.32
MCHR1 Q99705 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4D Q6B0I6 1/20 0.32

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
SCHEMBL4865555 0.85 CLK1 (0.45) NPC1MEN1CRHBPKMT2ACRHR2
SCHEMBL5507005 0.82 CLK1 (0.34) BRD4KAT2BMEN1KMT2ACLK1
SCHEMBL5573813 0.79 ALDH1A1 (0.34) NPC1BRD4KAT2BMEN1KMT2A
SCHEMBL5573809 0.79 ALDH1A1 (0.34) NPC1BRD4KAT2BMEN1KMT2A
SCHEMBL4962099 0.73 CDC7 (0.52) MEN1KMT2APNPKDM4EKDM6B
SCHEMBL5503592 0.70 CLK4 (0.42) MEN1KMT2ACLK1LMNAKDM4E
SCHEMBL5510799 0.70 CLK4 (0.38) NPC1MEN1KMT2ACLK1LMNA
SCHEMBL14437279 0.70 MEN1 (0.40) MEN1KMT2ACLK1LMNAKDM4E
SCHEMBL18076584 0.69 CDK1 (0.56) NPC1MEN1KMT2ACLK1KDM4E
SCHEMBL4874056 0.69 CDK1 (0.56) NPC1MEN1KMT2ACLK1KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008504324-A 2008-02-14 JP claimed
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 US claimed
EP-1765817-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP claimed
WO-2006002829-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO claimed
US-20060004045-A1 Thiazolinone unsubstituted quinolines CHEN LI 2006-01-05 US claimed
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 US disclosed
EP-1765817-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002829-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004045-A1 Thiazolinone unsubstituted 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-20060004045-A1 Thiazolinone unsubstituted quinolines CDK1, CDK17, CDK14 NPC1 3872/4885KDR 1790/4885BRD4 129/4885

“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.