SCHEMBL3715950

SCHEMBL3715950

CC(C)(C)n1nc(C#N)c(C#N)c1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL8914855 0.79 HPGD (0.33) HPGDSMN1; SMN2GAATSHR
SCHEMBL3721267 0.77 KMT2A (0.36) KMT2AHPGDSMN1; SMN2KDM4EMEN1
SCHEMBL7315465 0.77 GAA (0.51) KMT2AHPGDSMN1; SMN2GAATSHR
SCHEMBL13020404 0.75 HPGD (0.31) HPGDSMN1; SMN2
SCHEMBL11698200 0.74 KMT2A (0.41) KMT2AHPGDSMN1; SMN2GAATSHR
SCHEMBL24133460 0.72 RIPK2 (0.39) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8308145 0.71 HPGD (0.49) KMT2AHPGDSMN1; SMN2GAAKDM4E
SCHEMBL15613500 0.70 ADORA1 (0.47) KMT2AHPGDSMN1; SMN2TSHRKDM4E
SCHEMBL21806810 0.70 ADORA1 (0.38) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3691443 0.70 KDM4E (0.50) KMT2AHPGDSMN1; SMN2GAATSHR

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 4 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
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO 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 KMT2A 4432/4885HPGD 4453/4885SMN1; SMN2 69/4885

“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.