SCHEMBL5313616

SCHEMBL5313616

COc1cccc(C(=O)c2cc(C#N)cc3ccc4cccn4c23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ P4HB P07237 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CYP2C8 P10632 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ STS P08842 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ CBX7 O95931 1/20 0.37
▸ CDYL2 Q8N8U2 1/20 0.37
▸ CDY1; CDY1B Q9Y6F8 1/20 0.37
▸ RAB9A P51151 2/20 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
SCHEMBL5959228 0.91 NPC1 (0.39) KMT2AKDM4EMEN1LMNAPKM
SCHEMBL5257245 0.87 LMNA (0.39) KMT2AMEN1LMNAPKM
SCHEMBL5257255 0.86 GAA (0.36) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL5256609 0.86 DYRK1A (0.39) LMNAPKMP4HBSTS
SCHEMBL5310994 0.86 F2 (0.39) KDM4EPKMALDH1A1PLAUCYP2C8
SCHEMBL5257607 0.85 CYP2C8 (0.48) KMT2AKDM4EMEN1LMNAPKM
SCHEMBL5959210 0.83 AKR1C3 (0.35) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL5257355 0.81 SLC22A12 (0.38) KDM4EPLAUCYP2C8NR3C2
SCHEMBL5959202 0.81 AKR1C3 (0.46) KMT2AKDM4EMEN1LMNAPKM
SCHEMBL5959281 0.81 KMT2A (0.40) KMT2AKDM4EMEN1LMNAALDH1A1

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 KMT2A 1411/4885KDM4E 570/4885MEN1 2503/4885

“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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