SCHEMBL4817848

SCHEMBL4817848

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccsc3)c3c2-c2ccc(CNC(=O)CN4CCOCC4)cc2C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.36
KDR P35968 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
USP2 O75604 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL5929631 0.96 LMNA (0.42) LMNAALDH1A1HTTMAPTTSHR
SCHEMBL4814720 0.94 ALDH1A1 (0.39) LMNAALDH1A1MAPTTSHRCNR2
SCHEMBL4816371 0.90 MMP2 (0.40) LMNAALDH1A1MAPTTSHRHSD17B10
SCHEMBL4814988 0.90 ALDH1A1 (0.39) LMNAALDH1A1MAPTTSHRHSD17B10
SCHEMBL4812159 0.90 LMNA (0.43) LMNAALDH1A1HTTMAPTTSHR
SCHEMBL4810667 0.88 LMNA (0.42) LMNAALDH1A1HTTMAPTTSHR
SCHEMBL4810260 0.88 CNR1 (0.39) LMNAALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL4808626 0.87 CNR1 (0.39) LMNAALDH1A1MAPTCNR1HSD17B10
SCHEMBL4816463 0.84 PTGES (0.37) LMNAALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL4816274 0.83 PTGES (0.37) LMNAALDH1A1MAPTCNR1HSD17B10

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 LMNA 3952/4885ALDH1A1 3901/4885HTT 4450/4885

“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.