SCHEMBL17280119

SCHEMBL17280119

c1cc(-c2n[nH]c(-c3cnccn3)n2)cc(-c2n[nH]c(-c3cnccn3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GRK6 P43250 1/20 0.52
ATR Q13535 4/20 0.50
ATAD2 Q6PL18 1/20 0.50
NOTUM Q6P988 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGDS O60760 1/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
PIM1 P11309 1/20 0.48

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
SCHEMBL17279720 0.91 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL16179613 0.88 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL29223523 0.84 L3MBTL1 (0.68) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL30932528 0.84 L3MBTL1 (0.68) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL11320053 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL17280117 0.81 SMN1; SMN2 (0.82) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL31565161 0.81 SMN1; SMN2 (0.82) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL17280142 0.80 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AATRATAD2
SCHEMBL11317246 0.77 NR1H2 (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL17280125 0.77 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 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 (3 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS SMN1; SMN2 4639/4885NPC1 2503/4885RAB9A 1803/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 SMN1; SMN2 4379/4885NPC1 2768/4885RAB9A 2127/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 SMN1; SMN2 4539/4885NPC1 2718/4885RAB9A 1962/4885

“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.