SCHEMBL17800982

SCHEMBL17800982

COc1cccc(-c2nc(N)nc(Nc3cc(OC)[nH]n3)c2[C@H](C)c2ccc(F)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.40
GRK6 P43250 3/20 0.40
IGF1R P08069 2/20 0.40
GRK4 P32298 1/20 0.40
GRK5 P34947 1/20 0.40
GRK1 Q15835 1/20 0.40
GRK7 Q8WTQ7 1/20 0.40
JAK2 O60674 8/20 0.39
JAK3 P52333 5/20 0.38
ADORA2A P29274 4/20 0.37
ADORA1 P30542 3/20 0.36
BTK Q06187 1/20 0.36
NTRK1 P04629 3/20 0.36
CDK2 P24941 2/20 0.36
MUSK O15146 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
FGFR3 P22607 1/20 0.36
CCNE1 P24864 1/20 0.36
FLT3 P36888 1/20 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
SCHEMBL17800977 0.91 JAK2 (0.40) AURKAGRK6IGF1RGRK4GRK5
SCHEMBL4374782 0.88 JAK2 (0.40) AURKAGRK6IGF1RGRK4GRK5
SCHEMBL4365462 0.85 JAK2 (0.37) AURKAGRK6IGF1RGRK4GRK5
SCHEMBL589869 0.79 JAK2 (0.45) AURKAGRK6IGF1RGRK4GRK5
SCHEMBL588800 0.77 JAK2 (0.43) AURKAGRK6IGF1RGRK4GRK5
SCHEMBL13904341 0.74 AURKA (0.49) AURKAGRK6IGF1RGRK4GRK5
SCHEMBL588501 0.71 JAK2 (0.44) AURKAGRK6IGF1RGRK4GRK5
SCHEMBL588809 0.71 JAK2 (0.44) AURKAGRK6IGF1RGRK4GRK5
SCHEMBL218760 0.70 JAK2 (0.38) AURKAGRK6IGF1RGRK4GRK5
SCHEMBL218751 0.69 JAK2 (0.42) AURKAGRK6IGF1RGRK4GRK5

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
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 US claimed
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 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 (2 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-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER IDH2, IDH3B, IDH3A AURKA 851/4885GRK6 2631/4885IGF1R 1831/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A AURKA 851/4885GRK6 2631/4885IGF1R 1831/4885

“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.