SCHEMBL3687159

SCHEMBL3687159

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 4/20 0.71
HTT P42858 4/20 0.71
LMNA P02545 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
SRC P12931 15/20 0.55
ABL1 P00519 9/20 0.55
EGFR P00533 4/20 0.55
KDR P35968 3/20 0.55
RIPK2 O43353 2/20 0.55
LCK P06239 2/20 0.55
FYN P06241 2/20 0.55
YES1 P07947 2/20 0.55
LYN P07948 2/20 0.55
PDGFRA P16234 2/20 0.55
PRKACA P17612 2/20 0.55
FRK P42685 2/20 0.55
MAPK9 P45984 2/20 0.55
CSNK1A1 P48729 2/20 0.55
CSNK1D P48730 2/20 0.55

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
SCHEMBL3695039 0.83 KDM4E (1.00) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3694405 0.79 KDM4E (0.69) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3687162 0.79 HTT (0.69) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL14617301 0.76 SRC (0.89) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3695973 0.74 HTT (0.80) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3692707 0.74 KDM4E (0.80) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL409444 0.72 SRC (0.82) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL407934 0.71 SRC (1.00) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL29432587 0.71 SRC (1.00) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL13019796 0.71 KDM4E (0.77) KDM4EALDH1A1HTTLMNASMN1; 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 KDM4E 4683/4885ALDH1A1 2199/4885HTT 10/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B KDM4E 4425/4885ALDH1A1 3475/4885HTT 187/4885

“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.