SCHEMBL5315749

SCHEMBL5315749

Cc1cc2ccc3cc(C#N)cc(C(=O)c4ccc(-n5ccnc5)cc4)c3n2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.41
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ADH5 P11766 4/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE3B Q13370 1/20 0.36

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
SCHEMBL5261985 0.86 HTR2A (0.42) CYP3A4BAZ2BPDE4APDE4BPDE4C
SCHEMBL5309496 0.81 MAPK14 (0.40) HTTMAPTLMNATDP1MAPK1
SCHEMBL5311433 0.81 NPSR1 (0.37) HTTMAPTMAPK1MEN1ALDH1A1
SCHEMBL5259579 0.76 ADH5 (0.42) CYP3A4BAZ2BPDE4APDE4BPDE4C
SCHEMBL5959210 0.73 AKR1C3 (0.35) HTTMAPTLMNAMAPK1MEN1
SCHEMBL5259913 0.71 HCRTR1 (0.43) CYP3A4MAPTLMNATDP1MAPK1
SCHEMBL5258382 0.71 CYP19A1 (0.49) —
SCHEMBL5311360 0.71 MAPK14 (0.38) MAPTMAPK1TNFIRAK4KDM4E
SCHEMBL5959269 0.70 ALDH1A1 (0.38) PDE4APDE4DHTTMAPTLMNA
SCHEMBL5257355 0.68 SLC22A12 (0.38) PDE4APDE4CPDE4DKDM4E

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 CYP3A4 2001/4885BAZ2B 507/4885PDE4A 1380/4885

“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.

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