SCHEMBL17280232

SCHEMBL17280232

c1cc(-c2c[nH]c(-c3cnccn3)n2)cc(-c2c[nH]c(-c3cnccn3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.48
PIM2 Q9P1W9 3/20 0.46
METAP2 P50579 1/20 0.45
PIM1 P11309 3/20 0.43
NPY5R Q15761 1/20 0.40
DHFR P00374 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
SCN9A Q15858 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
WNT1 P04628 2/20 0.38
BACE1 P56817 1/20 0.38
KMO O15229 1/20 0.37
TGFBR1 P36897 1/20 0.37
CYP19A1 P11511 1/20 0.37
CLK2 P49760 1/20 0.36

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
SCHEMBL29712850 0.82 NPY5R (0.63) PIM2METAP2PIM1NPY5RPIK3CD
SCHEMBL28629827 0.82 NPY5R (0.63) PIM2METAP2PIM1NPY5RPIK3CD
SCHEMBL7143203 0.81 NPC1 (0.50) PIM2METAP2PIM1NPY5RPIK3CD
SCHEMBL29712872 0.81 NPY5R (0.42) GRK6PIM2METAP2PIM1NPY5R
SCHEMBL28641255 0.81 NPY5R (0.42) GRK6PIM2METAP2PIM1NPY5R
SCHEMBL28634816 0.80 METAP2 (0.42) GRK6PIM2METAP2NPY5R
SCHEMBL29712839 0.80 METAP2 (0.42) GRK6PIM2METAP2NPY5R
SCHEMBL17280240 0.80 SMN1; SMN2 (0.49) METAP2NPY5RMAPK1
SCHEMBL17280234 0.79 CYP19A1 (0.49) PIM2METAP2PIM1KMOCYP19A1
SCHEMBL21290740 0.79 PIM2 (0.55) GRK6PIM2PIM1DHFRSCN9A

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 GRK6 3737/4885PIM2 2560/4885METAP2 4322/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 GRK6 4051/4885PIM2 2248/4885METAP2 4428/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 GRK6 2381/4885PIM2 488/4885METAP2 3738/4885

“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.