SCHEMBL6523004

SCHEMBL6523004

CC(C)(C)OC(=O)N1CCCC(Nc2nc(Cl)ncc2Br)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.45
USP30 Q70CQ3 5/20 0.43
PIK3CD O00329 1/20 0.43
BTK Q06187 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP1 P09874 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
PBK Q96KB5 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL20155254 1.00 IGF1R (0.45) IGF1RUSP30PIK3CDBTKHDAC4
SCHEMBL6523000 1.00 IGF1R (0.45) IGF1RUSP30PIK3CDBTKHDAC4
SCHEMBL2331346 0.94 IGF1R (0.48) IGF1RUSP30PIK3CDBTKCNR1
SCHEMBL2331342 0.94 IGF1R (0.48) IGF1RUSP30PIK3CDBTKCNR1
SCHEMBL31664319 0.94 IGF1R (0.48) IGF1RUSP30PIK3CDBTKCNR1
SCHEMBL16513312 0.90 USP30 (0.45) USP30PIK3CDBTKHDAC4HDAC6
SCHEMBL18563163 0.90 USP30 (0.45) USP30PIK3CDBTKHDAC4HDAC6
SCHEMBL14672555 0.89 JAK3 (0.48) USP30PIK3CDBTKHDAC4HDAC6
SCHEMBL14672554 0.89 JAK3 (0.48) USP30PIK3CDBTKHDAC4HDAC6
SCHEMBL20154901 0.88 IGF1R (0.45) IGF1RUSP30PIK3CDBTKHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618103-B2 Inhibitors of JAK HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 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-20110059118-A1 INHIBITORS OF JAK JAK1, JAK3, JAK2 IGF1R 1990/4885USP30 1006/4885PIK3CD 1091/4885

“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.