SCHEMBL5313506

SCHEMBL5313506

N#Cc1cc(C(=O)c2ccc(F)cc2)c2c(ccc3cccn32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.42
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ALPG P10696 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NR3C2 P08235 5/20 0.34
▸ VNN1 O95497 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL5257355 0.90 SLC22A12 (0.38) NR3C2CYP11B1CYP11B2
SCHEMBL5310994 0.90 F2 (0.39) MAPK14ALDH1A1HPGDNPSR1VNN1
SCHEMBL5959255 0.89 MAPT (0.41) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL5959210 0.89 AKR1C3 (0.35) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5308588 0.89 MAPK14 (0.35) MAPK14MEN1KMT2ACYP11B1CYP11B2
SCHEMBL5959281 0.89 KMT2A (0.40) MAPK14MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5959228 0.86 NPC1 (0.39) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5313420 0.86 CES2 (0.32) CYP11B1CYP11B2
SCHEMBL5959229 0.86 PLAU (0.38) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5256708 0.86 ALDH1A1 (0.39) MEN1KMT2ALMNASMN1; SMN2ALDH1A1

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 MAPK14 1318/4885MEN1 2503/4885KMT2A 1411/4885

“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