Sugi Predict

Sugi Predict / Compounds / SCHEMBL5518979

SCHEMBL5518979

SCHEMBL5518979

C[C@H](NC1CCn2c1nc1cccc(C(F)(F)F)c1c2=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ELANE P08246 2/20 0.39
▸ CTRB1 P17538 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ CCNE2 O96020 3/20 0.36
▸ CCNE1 P24864 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GRM2 Q14416 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5509745 0.85 BCHE (0.42) ACHEBCHEPIK3CDPIK3CAPIK3CG
SCHEMBL5512094 0.84 ACHE (0.56) ACHEBCHEALDH1A1L3MBTL1GAA
SCHEMBL5511760 0.81 ELANE (0.39) ACHEBCHEPIK3CDPIK3CAPIK3CG
SCHEMBL5506248 0.78 ACHE (0.51) ACHEBCHEALDH1A1L3MBTL1GAA
SCHEMBL5511094 0.77 GAA (0.43) ACHEBCHEPIK3CDPIK3CGHRH3
SCHEMBL5510849 0.77 TRPV4 (0.40) ACHEBCHEHRH3KCNH2L3MBTL1
SCHEMBL5506377 0.77 ACHE (0.42) ACHEBCHERXFP1HRH3ALDH1A1
SCHEMBL5508714 0.76 ACHE (0.44) ACHEBCHEHRH3ALDH1A1L3MBTL1
SCHEMBL5509472 0.75 ACHE (0.43) ACHEBCHEPIK3CDPIK3CAPIK3CG
SCHEMBL5510773 0.75 TUBB4A (0.43) ACHEBCHEKCNH2ALDH1A1L3MBTL1

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
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
EP-1521583-A1 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) 2005-04-13 — — EP 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
WO-2004004733-A1 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) 2004-01-15 — — WO 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 ACHE 2967/4885BCHE 2964/4885PIK3CD 1201/4885

“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.