SCHEMBL4811366

SCHEMBL4811366

O=C(Oc1ccccc1)c1cccc(C#CCOc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
KCNH2 Q12809 1/20 0.44
NSD2 O96028 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
SERPINE1 P05121 1/20 0.43
ALOX5 P09917 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PARP10 Q53GL7 1/20 0.41
EGFR P00533 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4354653 0.85 MAPT (0.52) MAPTTDP1ALDH1A1MAPK1NSD2
SCHEMBL4814663 0.84 CA12 (0.48) MAPTTDP1ALDH1A1CA12CA1
SCHEMBL10411916 0.84 MAPT (0.51) MAPTTDP1ALDH1A1MAPK1NSD2
SCHEMBL8394217 0.78 PRSS1 (0.54) MAPTTDP1ALDH1A1MAPK1NSD2
SCHEMBL1637173 0.78 MAPT (0.51) MAPTTDP1ALDH1A1MAPK1NSD2
SCHEMBL3849164 0.78 MAPT (0.51) MAPTTDP1ALDH1A1MAPK1NSD2
SCHEMBL4808629 0.77 KDR (0.42) MAPTALDH1A1CA12CA1CA2
SCHEMBL69684 0.77 NSD2 (0.63) MAPTTDP1ALDH1A1MAPK1NSD2
SCHEMBL12885850 0.76 EGLN1 (0.50) MAPTALDH1A1SMN1; SMN2EGLN1MEN1
SCHEMBL8673010 0.75 NSD2 (0.61) MAPTTDP1ALDH1A1MAPK1NSD2

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 3 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
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 MAPT 2427/4885TDP1 934/4885ALDH1A1 3901/4885

“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.