SCHEMBL17280002

SCHEMBL17280002

c1cc(-c2cc(-c3cnccn3)[nH]n2)cc(-c2cc(-c3cnccn3)[nH]n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGDS O60760 2/20 0.50
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
PIM1 P11309 1/20 0.47
GRK6 P43250 1/20 0.45
ALK Q9UM73 1/20 0.44
PIM2 Q9P1W9 1/20 0.43
APP P05067 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 3/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40

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
SCHEMBL17279982 0.80 POLB (0.55) ALDH1A1CYP1A2CYP3A4HPGDSRAB9A
SCHEMBL17279983 0.80 CYP3A4 (0.77) ALDH1A1CYP1A2CYP3A4HPGDSRAB9A
SCHEMBL21290740 0.79 PIM2 (0.55) ALDH1A1CYP1A2CYP3A4PIM1GRK6
SCHEMBL17279981 0.76 RAB9A (0.63) ALDH1A1CYP1A2CYP3A4HPGDSRAB9A
SCHEMBL17279984 0.76 RAB9A (0.53) ALDH1A1CYP1A2CYP3A4HPGDSRAB9A
SCHEMBL17280000 0.75 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4HPGDSRAB9A
SCHEMBL21322286 0.74 PIM2 (0.55) PIM1GRK6PIM2CYP2A6
SCHEMBL27519625 0.74 PIM2 (0.55) PIM1GRK6PIM2CYP2A6
SCHEMBL20340353 0.73 RAB9A (0.84) ALDH1A1CYP1A2CYP3A4HPGDSRAB9A
SCHEMBL13815661 0.73 HSP90AA1 (0.43) ALDH1A1CYP1A2CYP3A4RAB9APIM1

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 ALDH1A1 3912/4885CYP1A2 1631/4885CYP3A4 1050/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 ALDH1A1 3484/4885CYP1A2 1695/4885CYP3A4 1193/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 ALDH1A1 1274/4885CYP1A2 8/4885CYP3A4 18/4885

“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.