SCHEMBL5259576

SCHEMBL5259576

CN1CCN(Cc2ccc(C(=O)c3cc(C#N)c4ccc5ccccc5n34)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CHKA P35790 5/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ BTK Q06187 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ MC4R P32245 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP5 P51878 1/20 0.38

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
SCHEMBL5260714 0.85 NPC1 (0.46) NPC1HTR6
SCHEMBL5313416 0.81 CES2 (0.40) HDAC6HDAC1
SCHEMBL5259333 0.81 ACHE (0.42) HDAC1
SCHEMBL5959209 0.80 MAPK1 (0.44) NPC1
SCHEMBL5310989 0.80 PTPN1 (0.44) CA2
SCHEMBL5257352 0.79 PTPN1 (0.40) —
SCHEMBL5258377 0.78 CYP19A1 (0.54) —
SCHEMBL5308585 0.78 MAPK1 (0.39) CA2
SCHEMBL5313502 0.78 LMNA (0.41) NPC1
SCHEMBL5959278 0.78 KMT2A (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578424-A4 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A| QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2007-08-08 — — EP claimed
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US claimed
EP-1578424-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A] QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2005-09-28 — — EP claimed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — US claimed
WO-2004055163-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES CYTOVIA, INC. (US) 2004-07-01 — — WO claimed
EP-1578424-A4 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A| QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2007-08-08 — — EP disclosed
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US disclosed
EP-1578424-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A] QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2005-09-28 — — EP disclosed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — US disclosed
WO-2004055163-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES CYTOVIA, INC. (US) 2004-07-01 — — 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-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CASP3, CASP7, CASP1 CA2 1285/4885HDAC6 1425/4885CHKA 4343/4885

“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.

Send feedback