SCHEMBL7571240

SCHEMBL7571240

CN(C)C(=N)c1nccnc1-c1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.31
▸ TP53 P04637 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
Hydrochloric Acid SCHEMBL7566886 0.98 PDE3B (0.33) PDE3BPDE3AALDH1A1TP53CYP3A4
SCHEMBL7567678 0.83 PDE3B (0.32) PDE3BPDE3A
SCHEMBL7567323 0.83 LMNA (0.33) PDE3BPDE3AALDH1A1CYP3A4TDP1
SCHEMBL7567254 0.80 PLAU (0.42) PDE3BPDE3AALDH1A1TP53CYP3A4
SCHEMBL7565847 0.79 MAPT (0.37) ALDH1A1CYP3A4KDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL7565620 0.78 F2 (0.44) PDE3BPDE3AALDH1A1TP53CYP3A4
Hydrochloric Acid SCHEMBL7566216 0.78 F2 (0.44) PDE3BPDE3AALDH1A1TP53CYP3A4
SCHEMBL10726634 0.72 ALDH1A1 (0.53) PDE3BPDE3AALDH1A1TP53CYP3A4
SCHEMBL11218403 0.67 ALDH1A1 (0.42) PDE3BPDE3AALDH1A1TP53CYP3A4
SCHEMBL18448354 0.67 ACHE (0.56) PDE3BPDE3AALDH1A1TP53CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492502-B2 REDUCTION OF A QUATERNARY AMMONIUM CONTAINING NITRO COMPOUND, TO FORM AN INTERMEDIATE, OXIDIZING TO GIVE AZO COMPOUND; USEFUL FOR DYEING HAIR L'OREAL, S.A. (FR) 2002-12-10 — — US claimed
US-20020165368-A1 Novel azo compounds, use in dyeing, compositions containing them and dyeing processes L'OREAL S.A. 2002-11-07 — — US claimed
US-20010001332-A1 Novel azo compounds, use in dyeing, compositions containing them and dyeing processes L'OREAL S.A. 2001-05-24 — — US claimed
EP-0918053-B1 Azo compounds, their use for dyeing, compositions containing them and dyeing processes OREAL (FR) 2000-05-10 — — EP claimed
US-6492502-B2 REDUCTION OF A QUATERNARY AMMONIUM CONTAINING NITRO COMPOUND, TO FORM AN INTERMEDIATE, OXIDIZING TO GIVE AZO COMPOUND; USEFUL FOR DYEING HAIR L'OREAL, S.A. (FR) 2002-12-10 — — US disclosed
US-20020165368-A1 Novel azo compounds, use in dyeing, compositions containing them and dyeing processes L'OREAL S.A. 2002-11-07 — — US disclosed
US-20010001332-A1 Novel azo compounds, use in dyeing, compositions containing them and dyeing processes L'OREAL S.A. 2001-05-24 — — US disclosed
US-6179881-B1 USING (DIAZINE OR HYDRAZINE)CARBOXIMIDAMIDE COMPOUNDS L'OREAL (FR) 2001-01-30 — — 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-20010001332-A1 Novel azo compounds, use in dyeing, compositions containing them and dyeing processes KRT18, MKI67, KDM5A PDE3B 3611/4885PDE3A 2773/4885ALDH1A1 960/4885

“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.

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