SCHEMBL4816463

SCHEMBL4816463

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccsc3)c3c2-c2cc(CNC(=O)CCl)ccc2C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
KIT P10721 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 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
SCHEMBL4810260 0.95 CNR1 (0.39) PTGESCNR1ALDH1A1SMN1; SMN2HTT
SCHEMBL4816274 0.95 PTGES (0.37) PTGESCNR1ALDH1A1HDAC3HDAC4
SCHEMBL4807491 0.92 LMNA (0.36) PTGESCNR1ALDH1A1SMN1; SMN2HDAC3
SCHEMBL4808626 0.90 CNR1 (0.39) PTGESCNR1ALDH1A1HDAC3HDAC4
SCHEMBL4812159 0.90 LMNA (0.43) PTGESCNR1ALDH1A1SMN1; SMN2HTT
SCHEMBL4810667 0.89 LMNA (0.42) PTGESCNR1ALDH1A1SMN1; SMN2HTT
SCHEMBL5929631 0.88 LMNA (0.42) CNR1ALDH1A1SMN1; SMN2HTTKIT
SCHEMBL4817756 0.88 KDR (0.36) PTGESCNR1HDAC3HDAC4HDAC1
SCHEMBL4812254 0.88 CHEK1 (0.35) PTGESHDAC3HDAC4HDAC1HDAC7
SCHEMBL4820064 0.88 LMNA (0.43) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1

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 PTGES 2709/4885CNR1 2896/4885ALDH1A1 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.