SCHEMBL710335

SCHEMBL710335

Nc1ccc2ccccc2c1-c1nccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PRKACA P17612 1/20 0.39
ADORA2A P29274 1/20 0.39
PLAU P00749 2/20 0.35
F12 P00748 1/20 0.35
NCF1 P14598 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
BACE1 P56817 1/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL710851 0.78 AURKA (0.44) AURKAHSP90AA1PRKACAADORA2AMAPT
SCHEMBL712182 0.76 HSP90AA1 (0.69) AURKAHSP90AA1PRKACAADORA2AMAPT
SCHEMBL8507608 0.74 KMT2A (0.41) AURKAHSP90AA1PRKACAADORA2AMAPT
SCHEMBL710947 0.73 S1PR1 (0.39) AURKAHSP90AA1PRKACAADORA2AMAPT
Water SCHEMBL5624369 0.72 PLAU (0.46) HSP90AA1PLAUF12NCF1NOS3
SCHEMBL708351 0.72 DYRK1A (0.48) AURKAHSP90AA1PRKACAADORA2ACYP1A2
SCHEMBL709830 0.72 ASIC3 (0.43) AURKAHSP90AA1PRKACAADORA2AMAPT
SCHEMBL17227622 0.70 AURKA (0.49) AURKAHSP90AA1PRKACAADORA2AMAPT
SCHEMBL710949 0.69 AURKA (0.40) AURKAHSP90AA1PRKACAADORA2AMAPT
SCHEMBL13231255 0.69 KCNH2 (0.39) PLAUF12NCF1NOS3NOS1

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-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

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 AURKA 235/4885HSP90AA1 4693/4885PRKACA 4072/4885

“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.