SCHEMBL5509745

SCHEMBL5509745

CC(NC1CCn2c1nc1cccc(Cl)c1c2=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ELANE P08246 2/20 0.40
CTRB1 P17538 2/20 0.40
PIK3CD O00329 15/20 0.39
PIK3R1 P27986 5/20 0.39
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3R2 O00459 2/20 0.38
PIK3CB P42338 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
SCHEMBL5518979 0.85 ACHE (0.40) BCHEACHEELANECTRB1PIK3CD
SCHEMBL5512094 0.85 ACHE (0.56) BCHEACHE
SCHEMBL5511760 0.82 ELANE (0.39) BCHEACHEELANECTRB1PIK3CD
SCHEMBL5510773 0.81 TUBB4A (0.43) BCHEACHE
SCHEMBL5509751 0.80 ACHE (0.44) BCHEACHE
SCHEMBL5506248 0.78 ACHE (0.51) BCHEACHE
SCHEMBL5506377 0.77 ACHE (0.42) BCHEACHE
SCHEMBL5511094 0.77 GAA (0.43) BCHEACHEPIK3CDPIK3CG
SCHEMBL5508714 0.76 ACHE (0.44) BCHEACHE
SCHEMBL6427046 0.76 GAA (0.34) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521583-B1 7,8,9,10-TETRAHYDRO-6H-AZEPINO, 6,7,8,9-TETRAHYDRO-PYRIDO AND 2,3-DIHYDRO-2H-PYRROLO (2,1-B)-QUINAZOLINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-01-10 EP disclosed
US-7067519-B2 7,8,9,10-tetrahydro-6H-azepino, 6,7,8,9-tetrahydro-pyrido and 2,3-dihydro-2H-pyrrolo[2,1-b]-quinazolinone derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-06-27 US disclosed
US-20050009852-A1 7 8 9 10-tetrahydro-6h-azepino, 6 7 8 9-tetrahydro-pyrido and 2 3-dihydro-2h-pyrrolo[2 1-b]-quinazolinone derivates ACTELION PHARMACEUTICALS, LTD. (CH) 2005-01-13 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-20050009852-A1 7 8 9 10-tetrahydro-6h-azepino, 6 7 8 9-tetrahydro-pyrido and 2 3-dihydro-2h-pyrrolo[2 1-b]-quinazolinone derivates HCRTR2, HCRTR1, NPY1R BCHE 2964/4885ACHE 2967/4885ELANE 4656/4885

“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.