SCHEMBL4814720

SCHEMBL4814720

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccsc3)c3c2-c2ccc(CNC(=O)CCN4CCOCC4)cc2C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTR7 P34969 3/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR6 P50406 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
KDR P35968 1/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 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
SCHEMBL4814988 0.96 ALDH1A1 (0.39) ALDH1A1HTR7HTR1ADRD2HTR6
SCHEMBL4817848 0.94 LMNA (0.42) ALDH1A1HTR7HTR1ADRD2HTR6
SCHEMBL4816371 0.92 MMP2 (0.40) ALDH1A1POLBMAPK1MMP2MMP8
SCHEMBL5929631 0.90 LMNA (0.42) ALDH1A1HTR7HTR1ADRD2HTR6
SCHEMBL4808626 0.88 CNR1 (0.39) ALDH1A1POLBKDRLMNAKDM4E
SCHEMBL4810260 0.88 CNR1 (0.39) ALDH1A1POLBKDRLMNAMAPT
SCHEMBL4807491 0.84 LMNA (0.36) ALDH1A1POLBKDRLMNAKDM4E
SCHEMBL4816274 0.84 PTGES (0.37) ALDH1A1KDRLMNAKDM4EMAPT
SCHEMBL4812159 0.84 LMNA (0.43) ALDH1A1CA1CA2CA7CA9
SCHEMBL4816463 0.83 PTGES (0.37) ALDH1A1POLBKDRLMNAMAPT

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 ALDH1A1 3901/4885HTR7 1950/4885HTR1A 2929/4885

“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.