SCHEMBL2902764

SCHEMBL2902764

[c]1cccc(Cn2cncn2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.64
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
STS P08842 2/20 0.43
UGT1A4 P22310 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL1571252 0.79 CYP19A1 (0.67) CYP19A1HDAC1HDAC6UGT1A4PDE4D
SCHEMBL2917482 0.78 CYP19A1 (1.00) CYP19A1HDAC1HDAC6
Hydrochloric Acid SCHEMBL9382670 0.77 CYP19A1 (0.96) CYP19A1HDAC1HDAC6
SCHEMBL17159812 0.76 CYP19A1 (0.80) CYP19A1HDAC1HDAC6UGT1A4PDE4D
SCHEMBL27979676 0.75 HTT (0.48) CYP19A1HDAC1HDAC6
SCHEMBL9023539 0.72 CYP19A1 (0.86) CYP19A1HDAC1HDAC6
SCHEMBL27779924 0.72 CYP19A1 (0.37) CYP19A1
SCHEMBL15688800 0.71 CYP19A1 (0.71) CYP19A1HDAC1HDAC6STS
SCHEMBL3115446 0.70 CYP19A1 (0.65) CYP19A1HDAC1HDAC6STSUGT1A4
SCHEMBL10066953 0.70 CYP19A1 (0.65) CYP19A1HDAC1HDAC6STSUGT1A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417859-B Synthesis method of rizatriptan benzoate 陕西师范大学 2024-02-02 CN disclosed
CN-102123991-A 2-arylaminoquinazolines for the treatment of proliferative diseases NOVARTIS AG 2011-07-13 CN disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP disclosed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 CN 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR CYP19A1 726/4885HDAC1 944/4885HDAC6 2871/4885

“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.