SCHEMBL6530244

SCHEMBL6530244

CN1CCN(c2ncc(C(F)(F)F)c(-c3c(O)[nH]c(O)c3-c3c[nH]c4ccccc34)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.56
JAK3 P52333 2/20 0.56
JAK2 O60674 1/20 0.56
TYK2 P29597 1/20 0.56
PRKCH P24723 9/20 0.46
PRKCQ Q04759 9/20 0.46
PRKCD Q05655 9/20 0.46
PRKCA P17252 8/20 0.46
CDK2 P24941 8/20 0.46
PRKCE Q02156 7/20 0.46
PRKCB P05771 7/20 0.46
PDPK1 O15530 1/20 0.46
DYRK3 O43781 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
PRKCG P05129 1/20 0.46
FYN P06241 1/20 0.46

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
SCHEMBL4906489 0.82 JAK3 (0.82) JAK1JAK3JAK2TYK2PRKCH
SCHEMBL857150 0.67 PRKCQ (0.72) JAK1JAK3JAK2TYK2PRKCH
SCHEMBL990717 0.67 PRKCA (0.66) JAK1JAK3JAK2TYK2PRKCH
SCHEMBL24839369 0.67 CDK7 (0.55) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL21749386 0.66 PRKCH (0.71) JAK1JAK3PRKCHPRKCQPRKCD
SCHEMBL29993829 0.65 CDK7 (0.54) CDK2CDK5CCNKCDK12CCNE1
SCHEMBL21026876 0.65 CDK5 (0.69) CDK2GSK3BCDK5CCNKCDK12
SCHEMBL517413 0.65 CDK7 (0.54) CDK2CDK5CCNKCDK12CCNE1
SCHEMBL20416024 0.65 CDK7 (0.64) CDK2CCNKCDK12CCNE1CCNT1
Sotrastaurin SCHEMBL26184899 0.64 PRKCH (0.73) JAK1JAK3PRKCHPRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119274-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2005-06-02 US claimed

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-20050119274-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK JAK1 323/4885JAK3 410/4885JAK2 424/4885

“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.