SCHEMBL4808629

SCHEMBL4808629

O=C(Oc1ccccc1)c1csc(C#CCOc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.42
NSD2 O96028 1/20 0.41
KCNH2 Q12809 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CSF1R P07333 5/20 0.40
KIT P10721 5/20 0.40
FLT1 P17948 5/20 0.40
FLT3 P36888 5/20 0.40
LCK P06239 4/20 0.40
TEK Q02763 4/20 0.40
FYN P06241 2/20 0.40
LYN P07948 2/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
ALOX5 P09917 1/20 0.38
CA12 O43570 1/20 0.36

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
SCHEMBL4814267 0.83 KDR (0.41) KDRNSD2KCNH2ALDH1A1MAPT
SCHEMBL4807404 0.83 HTR2A (0.38) KDRNSD2KCNH2ALDH1A1MAPT
SCHEMBL4814663 0.78 CA12 (0.48) NSD2KCNH2ALDH1A1MAPTMEN1
SCHEMBL4811366 0.77 MAPT (0.46) NSD2KCNH2ALDH1A1MAPTMEN1
SCHEMBL4815255 0.73 NSD2 (0.51) KDRNSD2ALDH1A1MAPTMEN1
SCHEMBL13981307 0.72 KCNH2 (0.44) KDRKCNH2CSF1RKITFLT1
SCHEMBL2035745 0.66 NSD2 (0.74) KDRNSD2ALDH1A1MAPTMEN1
SCHEMBL18430409 0.66 ALOX5 (0.60) NSD2ALDH1A1MAPTMEN1KMT2A
SCHEMBL28345910 0.65 CA12 (0.64) KCNH2EGLN1ALOX5CA12CA1
SCHEMBL4814098 0.65 MAPT (0.72) NSD2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 KDR 666/4885NSD2 2349/4885KCNH2 2628/4885

“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.