SCHEMBL13019796

SCHEMBL13019796

CC(C)(C)n1nc(-c2ccc(C(F)(F)F)cc2)c2c(N)ncnc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
ALDH1A1 P00352 2/20 0.77
LMNA P02545 2/20 0.77
HTT P42858 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
SRC P12931 17/20 0.74
ABL1 P00519 9/20 0.74
EGFR P00533 3/20 0.74
KDR P35968 3/20 0.74
RIPK2 O43353 3/20 0.74
LCK P06239 2/20 0.74
FYN P06241 2/20 0.74
YES1 P07947 2/20 0.74
LYN P07948 2/20 0.74
PDGFRA P16234 2/20 0.74
PRKACA P17612 2/20 0.74
FRK P42685 2/20 0.74
MAPK9 P45984 2/20 0.74
CSNK1A1 P48729 2/20 0.74
CSNK1D P48730 2/20 0.74

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
SCHEMBL14617301 0.91 SRC (0.89) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1962682 0.90 SRC (0.78) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3695039 0.87 KDM4E (1.00) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL409444 0.87 SRC (0.82) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL407934 0.85 SRC (1.00) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL29432587 0.85 SRC (1.00) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3610160 0.84 SRC (0.95) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL375322 0.84 SRC (1.00) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL29355398 0.84 SRC (1.00) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5620074 0.84 SRC (0.78) KDM4EALDH1A1LMNAHTTSMN1; SMN2

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B KDM4E 4425/4885ALDH1A1 3475/4885LMNA 3353/4885

“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.