SCHEMBL5309119

SCHEMBL5309119

N#Cc1cc(C(=O)c2ccc(NCCN3CCOCC3)cc2)n2c1ccc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K8 P41279 1/20 0.49
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ ACHE P22303 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ CSNK2A1 P68400 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CD274 Q9NZQ7 2/20 0.40
▸ PRF1 P14222 1/20 0.40

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
SCHEMBL5254962 0.82 MAPT (0.46) ALDH1A1KDM4EHPGDTSHRCASP1
SCHEMBL5259771 0.80 KDM4E (0.46) KDM4ETSHREPHX2
SCHEMBL5306597 0.79 DRD3 (0.41) CYP1A2ACHECSNK2A1ALDH1A1KDM4E
SCHEMBL5261981 0.77 ESR1 (0.48) ALDH1A1KDM4ETSHRGAA
SCHEMBL5313502 0.77 LMNA (0.41) ALDH1A1KDM4EHPGDTSHRGAA
SCHEMBL5310989 0.76 PTPN1 (0.44) ALDH1A1KDM4ETSHRMAPK1
SCHEMBL5260714 0.76 NPC1 (0.46) HPGDTSHR
SCHEMBL5314813 0.76 CNR1 (0.46) CYP1A2CYP2C19CYP3A4ALDH1A1KDM4E
SCHEMBL5257352 0.75 PTPN1 (0.40) MAPK1
SCHEMBL5259576 0.75 CA2 (0.43) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US 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
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 MAP3K8 1215/4885CYP1A2 1488/4885CYP2D6 2273/4885

“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