SCHEMBL712182

SCHEMBL712182

Nc1nccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.69
AURKA O14965 2/20 0.69
ADORA2A P29274 2/20 0.69
PRKACA P17612 1/20 0.69
RAB9A P51151 3/20 0.53
NPC1 O15118 1/20 0.53
HSP90AB1 P08238 1/20 0.49
PTK2 Q05397 1/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.48
KMO O15229 1/20 0.47
SLC2A1 P11166 1/20 0.45
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44

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
SCHEMBL12176972 0.86 HSP90AA1 (0.92) HSP90AA1AURKAADORA2APRKACARAB9A
SCHEMBL316210 0.82 HSP90AA1 (1.00) HSP90AA1AURKAADORA2APRKACARAB9A
SCHEMBL710851 0.81 AURKA (0.44) HSP90AA1AURKAADORA2APRKACARAB9A
Hydrochloric Acid SCHEMBL17186384 0.81 HSP90AA1 (0.96) HSP90AA1AURKAADORA2APRKACARAB9A
SCHEMBL708351 0.79 DYRK1A (0.48) HSP90AA1AURKAADORA2APRKACACYP1A2
SCHEMBL10019585 0.78 DYRK1A (0.49) HSP90AA1AURKAADORA2APRKACARAB9A
SCHEMBL10019584 0.77 DYRK1A (0.48) HSP90AA1AURKAADORA2APRKACARAB9A
SCHEMBL28013042 0.75 HSP90AA1 (0.71) HSP90AA1AURKAADORA2APRKACARAB9A
SCHEMBL21164006 0.75 HSP90AA1 (0.70) HSP90AA1AURKAADORA2APRKACARAB9A
SCHEMBL709831 0.75 IKBKB (0.59) JAK3GSK3B

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-8124762-B2 Diphenyl amine derivatives having luminescence property KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2012-02-28 US disclosed
US-8124762-B2 Diphenyl amine derivatives having luminescence property KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2012-02-28 US disclosed
US-8124762-B2 Diphenyl amine derivatives having luminescence property KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2012-02-28 US disclosed
US-20100063281-A1 DIPHENYL AMINE DERIVATIVES HAVING LUMINESCENCE PROPERTY KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2010-03-11 US disclosed
US-20100063281-A1 DIPHENYL AMINE DERIVATIVES HAVING LUMINESCENCE PROPERTY KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2010-03-11 US disclosed
US-20100063281-A1 DIPHENYL AMINE DERIVATIVES HAVING LUMINESCENCE PROPERTY KOREA INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2010-03-11 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-20100063281-A1 DIPHENYL AMINE DERIVATIVES HAVING LUMINESCENCE PROPERTY TYR, PNMT, DDC HSP90AA1 4693/4885AURKA 235/4885ADORA2A 895/4885

“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.