SCHEMBL6479494

SCHEMBL6479494

Nc1cccc(Cn2ccnn2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.64
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HTR1A P08908 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLAU P00749 1/20 0.38
TEK Q02763 1/20 0.38
HTT P42858 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
SCHEMBL29820100 0.80 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2ALDH1A1TDP1
SCHEMBL3107233 0.80 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2ALDH1A1TDP1
SCHEMBL16100647 0.80 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2TDP1HTR1A
SCHEMBL29820311 0.80 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2L3MBTL1ALDH1A1
SCHEMBL31286290 0.80 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2TDP1HTR1A
SCHEMBL3153071 0.79 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2ALDH1A1TDP1
SCHEMBL155247 0.78 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2L3MBTL1
SCHEMBL1851019 0.78 HTT (0.59) CYP11B1CYP11B2L3MBTL1ALDH1A1TDP1
Hydrochloric Acid SCHEMBL7263772 0.77 CYP19A1 (0.96) CYP19A1CYP11B1CYP11B2L3MBTL1
SCHEMBL2163185 0.77 L3MBTL1 (0.50) CYP19A1CYP11B1CYP11B2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864255-B2 Substituted triazinyl amide derivatives and methods of use AMGEN INC. (US) 2005-03-08 US disclosed
US-20030087908-A1 Substituted triazinyl amide derivatives and methods of use AMGEN INC. 2003-05-08 US disclosed
EP-0612731-B1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1997-08-20 EP disclosed
EP-0612731-A1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1994-08-31 EP 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-20030087908-A1 Substituted triazinyl amide derivatives and methods of use FLT4, FLT1, VEGFA CYP19A1 215/4885CYP11B1 732/4885CYP11B2 598/4885

“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.