SCHEMBL17481607

SCHEMBL17481607

Cc1ccc(Cn2c(NCc3nc4ccccc4n3C)nc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
SMN1; SMN2 Q16637 8/20 0.67
LMNA P02545 7/20 0.67
ALDH1A1 P00352 5/20 0.65
ALOX15 P16050 2/20 0.65
TP53 P04637 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
HTT P42858 4/20 0.59
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL20715695 0.81 SMN1; SMN2 (0.76) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL20715597 0.79 LMNA (0.72) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL1170660 0.78 ALDH1A1 (0.86) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL1170123 0.77 SMN1; SMN2 (0.74) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL1169982 0.76 ALDH1A1 (0.69) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL20715608 0.76 NPC1 (0.70) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8366932 0.75 RAB9A (0.76) RAB9ASMN1; SMN2LMNATP53L3MBTL1
SCHEMBL3185645 0.75 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL13559765 0.75 MAPT (0.62) RAB9ASMN1; SMN2LMNATP53TSHR
SCHEMBL4388490 0.75 LMNA (1.00) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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-9963452-B2 Methods, compounds, and compositions for inhibition of ROS AUGUSTA PHARMACEUTICALS INC. (US) 2018-05-08 US disclosed
US-20160031890-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS GRUENEBERG, Dorre A. 2016-02-04 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-20160031890-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS ROS1, NOX4, NOX1 NPC1 1883/4885RAB9A 671/4885SMN1; SMN2 4619/4885

“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.