Sugi Predict

Sugi Predict / Compounds / SCHEMBL709817

SCHEMBL709817

SCHEMBL709817

c1ccc(CN(Cc2ccccc2)c2nccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.43
▸ TSHR P16473 3/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ PDK1 Q15118 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ CYP2C19 P33261 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ PDE6A P16499 1/20 0.37

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
SCHEMBL710351 0.91 CYP2C19 (0.46) CTSKTSHRCYP11B1PDK1CYP2C19
SCHEMBL708348 0.88 LMNA (0.45) CTSKTSHRCYP2D6LMNACYP2C19
SCHEMBL708351 0.80 DYRK1A (0.48) AURKAHSP90AA1PRKACAADORA2ACYP1A2
SCHEMBL10019585 0.78 DYRK1A (0.49) TSHRCYP11B1CYP2D6LMNASMN1; SMN2
SCHEMBL10019584 0.77 DYRK1A (0.48) TSHRCYP11B1CYP2D6LMNASMN1; SMN2
SCHEMBL12073354 0.75 AURKA (0.53) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL712182 0.75 HSP90AA1 (0.69) CYP2D6SMN1; SMN2CYP2C19AURKAHSP90AA1
SCHEMBL5369717 0.73 CYP2C19 (0.60) TSHRCYP2D6LMNASMN1; SMN2GLA
SCHEMBL30299522 0.72 MAPT (0.50) TSHRSMN1; SMN2AURKAHSP90AA1PRKACA
SCHEMBL23435088 0.70 NR3C2 (0.50) TSHRCYP2D6CYP2C19CYP1A2KMT2A

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 CTSK 4010/4885TSHR 4000/4885CYP11B1 3242/4885

“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.